1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C20H26N4O2 — CID 9134533

IUPAC1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESN#CC1(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H26N4O2/c21-15-20(10-4-5-11-20)23-18(25)14-24-12-8-16(9-13-24)19(26)22-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-14H2,(H,22,26)(H,23,25)
InChIKeyZPPROCNBZMCUAP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134533) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134533
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESN#CC1(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H26N4O2/c21-15-20(10-4-5-11-20)23-18(25)14-24-12-8-16(9-13-24)19(26)22-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-14H2,(H,22,26)(H,23,25)
InChIKeyZPPROCNBZMCUAP-UHFFFAOYSA-N
XLogP2.29
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 48736687

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 9134533) is 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is N#CC1(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)CCCC1.
What is the InChIKey of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZPPROCNBZMCUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-15-20(10-4-5-11-20)23-18(25)14-24-12-8-16(9-13-24)19(26)22-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-14H2,(H,22,26)(H,23,25).
What are the key properties of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).