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

C27H43N3O2 — CID 42881314

IUPAC1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C27H43N3O2/c1-2-3-4-5-9-12-26(31)30-21-16-25(17-22-30)29-19-14-24(15-20-29)27(32)28-18-13-23-10-7-6-8-11-23/h6-8,10-11,24-25H,2-5,9,12-22H2,1H3,(H,28,32)
InChIKeyMNNDSOLFKGBOGX-UHFFFAOYSA-N
MW441.66 g/mol
LogP4.41
Rot. Bonds11

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

1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 42881314) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID42881314
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC Name1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C27H43N3O2/c1-2-3-4-5-9-12-26(31)30-21-16-25(17-22-30)29-19-14-24(15-20-29)27(32)28-18-13-23-10-7-6-8-11-23/h6-8,10-11,24-25H,2-5,9,12-22H2,1H3,(H,28,32)
InChIKeyMNNDSOLFKGBOGX-UHFFFAOYSA-N
XLogP4.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 54.41
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-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
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-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 42881314) is 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide is CCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is MNNDSOLFKGBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-2-3-4-5-9-12-26(31)30-21-16-25(17-22-30)29-19-14-24(15-20-29)27(32)28-18-13-23-10-7-6-8-11-23/h6-8,10-11,24-25H,2-5,9,12-22H2,1H3,(H,28,32).
What are the key properties of 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 441.66 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).