N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C23H35N3O2 — CID 154780462

IUPACN-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCN1CCC(CCNC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H35N3O2/c1-2-25-15-11-19(12-16-25)10-13-24-23(28)21-9-6-14-26(18-21)22(27)17-20-7-4-3-5-8-20/h3-5,7-8,19,21H,2,6,9-18H2,1H3,(H,24,28)
InChIKeyAIVSTJHYFPMCLQ-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 154780462) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID154780462
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCN1CCC(CCNC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H35N3O2/c1-2-25-15-11-19(12-16-25)10-13-24-23(28)21-9-6-14-26(18-21)22(27)17-20-7-4-3-5-8-20/h3-5,7-8,19,21H,2,6,9-18H2,1H3,(H,24,28)
InChIKeyAIVSTJHYFPMCLQ-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
CID 119482159
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 154780462) is N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is CCN1CCC(CCNC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is AIVSTJHYFPMCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-25-15-11-19(12-16-25)10-13-24-23(28)21-9-6-14-26(18-21)22(27)17-20-7-4-3-5-8-20/h3-5,7-8,19,21H,2,6,9-18H2,1H3,(H,24,28).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 154780462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).