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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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).