N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide

C19H29ClN2O3 — CID 67189888

IUPACN-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCCCC(O)(c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C19H29ClN2O3/c1-14(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/h3,6,8,12,14,16,21,24H,4-5,7,9-11,13H2,1-2H3,(H,22,23)
InChIKeySDXZGEAGYWBEGU-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.46
Rot. Bonds8

About N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide

N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide (PubChem CID 67189888) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide
PubChem CID67189888
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC NameN-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCCCC(O)(c1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C19H29ClN2O3/c1-14(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/h3,6,8,12,14,16,21,24H,4-5,7,9-11,13H2,1-2H3,(H,22,23)
InChIKeySDXZGEAGYWBEGU-UHFFFAOYSA-N
XLogP2.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4S)-4-(3-chlorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]-3-methylurea
CID 59382838
(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
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
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-(3-chlorophenyl)-2-(2-methoxyethoxy)-1-piperidin-3-ylethanol
CID 67192489
tert-butyl (3R)-3-[(1S)-4-amino-1-(3-chlorophenyl)-1-hydroxybutyl]piperidine-1-carboxylate;1-[(4S)-4-(3-chlorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]-3-methylurea
CID 158501411
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
N-[4-(2-fluoro-5-methylphenyl)-4-hydroxy-4-piperidin-3-ylbutyl]acetamide
CID 67193008
methyl N-[4-(2-fluorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]carbamate
CID 68713452
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
[4-[3-chloro-2-(3-methoxyphenyl)phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid
CID 68989123

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide?
The IUPAC name of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide (CID 67189888) is N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide is 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?
The InChIKey is SDXZGEAGYWBEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-14(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/h3,6,8,12,14,16,21,24H,4-5,7,9-11,13H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide?
N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide has a molecular weight of 368.91 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-4-hydroxy-4-piperidin-3-ylbutyl]-2-methoxypropanamide is sourced from PubChem (CID 67189888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).