N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide

C20H31ClN2O2 — CID 13061551

IUPACN-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
SMILESCCCCNC(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C20H31ClN2O2/c1-3-4-12-22-19(24)16(2)20(25)10-14-23(15-11-20)13-9-17-7-5-6-8-18(17)21/h5-8,16,25H,3-4,9-15H2,1-2H3,(H,22,24)
InChIKeyKIMMWCCCBWYGKQ-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.26
Rot. Bonds8

About N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide

N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide (PubChem CID 13061551) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
PubChem CID13061551
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC NameN-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
SMILESCCCCNC(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C20H31ClN2O2/c1-3-4-12-22-19(24)16(2)20(25)10-14-23(15-11-20)13-9-17-7-5-6-8-18(17)21/h5-8,16,25H,3-4,9-15H2,1-2H3,(H,22,24)
InChIKeyKIMMWCCCBWYGKQ-UHFFFAOYSA-N
XLogP3.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pipradimadol
CID 68883
Pipramadol
CID 3047849
N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24790714
N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxo-3-piperidinecarboxamide
CID 24817314
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 13061493
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N,3-dimethylbutanamide;hydrobromide
CID 13061497
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
CID 13061507
(E)-but-2-enedioic acid;N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
CID 13061516
[1-[2-(2-Chlorophenyl)ethyl]-4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]piperidin-4-yl] propanoate
CID 13061545
N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide
CID 24816628
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride
CID 54583066
(Z)-but-2-enedioic acid;2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexylpropanamide
CID 54586958

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
The IUPAC name of N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide (CID 13061551) is N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide.
What is the SMILES notation for N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
The canonical SMILES for N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide is CCCCNC(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
The InChIKey is KIMMWCCCBWYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2/c1-3-4-12-22-19(24)16(2)20(25)10-14-23(15-11-20)13-9-17-7-5-6-8-18(17)21/h5-8,16,25H,3-4,9-15H2,1-2H3,(H,22,24).
What are the key properties of N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide has a molecular weight of 366.93 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide is sourced from PubChem (CID 13061551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).