1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide

C25H39N3O2 — CID 42881318

IUPAC1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H39N3O2/c1-2-3-5-10-24(29)28-19-14-23(15-20-28)27-17-12-22(13-18-27)25(30)26-16-11-21-8-6-4-7-9-21/h4,6-9,22-23H,2-3,5,10-20H2,1H3,(H,26,30)
InChIKeyZRJBLHHAAIADLQ-UHFFFAOYSA-N
MW413.61 g/mol
LogP3.63
Rot. Bonds9

About 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide

1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 42881318) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID42881318
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H39N3O2/c1-2-3-5-10-24(29)28-19-14-23(15-20-28)27-17-12-22(13-18-27)25(30)26-16-11-21-8-6-4-7-9-21/h4,6-9,22-23H,2-3,5,10-20H2,1H3,(H,26,30)
InChIKeyZRJBLHHAAIADLQ-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42881380
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 42881318) is 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide is CCCCCC(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is ZRJBLHHAAIADLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-2-3-5-10-24(29)28-19-14-23(15-20-28)27-17-12-22(13-18-27)25(30)26-16-11-21-8-6-4-7-9-21/h4,6-9,22-23H,2-3,5,10-20H2,1H3,(H,26,30).
What are the key properties of 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 413.61 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).