N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide

C39H59ClF2N4O5 — CID 69469639

IUPACN-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide
SMILESCCC(=O)N[C@](CCCCOC)(c1cccc(F)c1F)C1CCCNC1.COC(C)C(=O)NCCCC(O)(c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C20H30F2N2O2.C19H29ClN2O3/c1-3-18(25)24-20(11-4-5-13-26-2,15-8-7-12-23-14-15)16-9-6-10-17(21)19(16)22;1-14(25-2)18(23)22-11-5-9-19(24,16-7-4-10-21-13-16)15-6-3-8-17(20)12-15/h6,9-10,15,23H,3-5,7-8,11-14H2,1-2H3,(H,24,25);3,6,8,12,14,16,21,24H,4-5,7,9-11,13H2,1-2H3,(H,22,23)/t15?,20-;/m0./s1
InChIKeyRUHKYHMSHVTZQI-NAEAKBEESA-N
MW737.37 g/mol
LogP5.96
Rot. Bonds17

About N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide

N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide (PubChem CID 69469639) has the molecular formula C39H59ClF2N4O5 and a molecular weight of 737.37 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide
PubChem CID69469639
Molecular FormulaC39H59ClF2N4O5
Molecular Weight737.37 g/mol
Exact Mass736.41
IUPAC NameN-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide
SMILESCCC(=O)N[C@](CCCCOC)(c1cccc(F)c1F)C1CCCNC1.COC(C)C(=O)NCCCC(O)(c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C20H30F2N2O2.C19H29ClN2O3/c1-3-18(25)24-20(11-4-5-13-26-2,15-8-7-12-23-14-15)16-9-6-10-17(21)19(16)22;1-14(25-2)18(23)22-11-5-9-19(24,16-7-4-10-21-13-16)15-6-3-8-17(20)12-15/h6,9-10,15,23H,3-5,7-8,11-14H2,1-2H3,(H,24,25);3,6,8,12,14,16,21,24H,4-5,7,9-11,13H2,1-2H3,(H,22,23)/t15?,20-;/m0./s1
InChIKeyRUHKYHMSHVTZQI-NAEAKBEESA-N
XLogP5.96
TPSA120.95 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.37
LogP ≤ 55.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide
CID 67189888
(2S)-N-[(4S)-4-(3-chlorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]-2-methoxypropanamide;(1S)-5-methoxy-1-(2-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 159162026
(1S)-1-(3-chloro-2-methylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol;N-[(4S)-4-(2,3-difluorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]acetamide;N-[(4S)-4-(3,5-difluorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]acetamide
CID 87846691
1-[(4S)-4-(3-chlorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]-3-methylurea
CID 59382838
N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]methanesulfonamide;(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
CID 69469534
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
(1S)-1-(3-chlorophenyl)-2-(2-methoxyethoxy)-1-piperidin-3-ylethanol
CID 67192489
methyl N-[4-(2-fluorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]carbamate
CID 68713452
N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]formamide
CID 87545778
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-(sulfamoylamino)butyl]piperidine
CID 59382829
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
N-[(4S)-4-[3-fluoro-2-(2-fluoro-5-methylphenyl)phenyl]-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]acetamide
CID 68698333

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide?
The IUPAC name of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide (CID 69469639) is N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide is CCC(=O)N[C@](CCCCOC)(c1cccc(F)c1F)C1CCCNC1.COC(C)C(=O)NCCCC(O)(c1cccc(Cl)c1)C1CCCNC1.
What is the InChIKey of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide?
The InChIKey is RUHKYHMSHVTZQI-NAEAKBEESA-N. The full InChI is InChI=1S/C20H30F2N2O2.C19H29ClN2O3/c1-3-18(25)24-20(11-4-5-13-26-2,15-8-7-12-23-14-15)16-9-6-10-17(21)19(16)22;1-14(25-2)18(23)22-11-5-9-19(24,16-7-4-10-21-13-16)15-6-3-8-17(20)12-15/h6,9-10,15,23H,3-5,7-8,11-14H2,1-2H3,(H,24,25);3,6,8,12,14,16,21,24H,4-5,7,9-11,13H2,1-2H3,(H,22,23)/t15?,20-;/m0./s1.
What are the key properties of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide?
N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide has a molecular weight of 737.37 g/mol, XLogP of 5.96, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide;N-[(1S)-1-(2,3-difluorophenyl)-5-methoxy-1-piperidin-3-ylpentyl]propanamide is sourced from PubChem (CID 69469639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).