1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide

C21H28N4O2 — CID 118795725

IUPAC1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)CCN2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C21H28N4O2/c22-16-21(18-4-2-1-3-5-18)9-14-25(15-10-21)19(26)8-13-24-11-6-17(7-12-24)20(23)27/h1-5,17H,6-15H2,(H2,23,27)
InChIKeySBTBRADUJKJKNW-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.66
Rot. Bonds5

About 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide

1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 118795725) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID118795725
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)CCN2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C21H28N4O2/c22-16-21(18-4-2-1-3-5-18)9-14-25(15-10-21)19(26)8-13-24-11-6-17(7-12-24)20(23)27/h1-5,17H,6-15H2,(H2,23,27)
InChIKeySBTBRADUJKJKNW-UHFFFAOYSA-N
XLogP1.66
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piritramide
CID 9331
1-(3,3-Diphenylpropanoyl)piperidine-4-carboxamide
CID 888289
[1-(3-Phenylpropyl)-4-piperidinyl]-(1-piperidinyl)methanone
CID 883907
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid amide
CID 11501402
1-Acetyl-4-{[4-benzylpiperidyl]carbonyl}piperidine
CID 17127007
3-[(4-Cyano-4-phenyl-1-piperidinyl)carbonyl]-1-piperidinecarboxamide
CID 70718721
2-{3-[(4-Cyano-4-phenyl-1-piperidinyl)carbonyl]-1-piperidinyl}acetamide
CID 70756781
1-[2-(2,6-Dioxo-1,3-diazinan-1-yl)acetyl]-4-phenylpiperidine-4-carbonitrile
CID 72846382
4-Phenyl-1-propanoylpiperidine-4-carbonitrile
CID 110711521
1-(2-Methylcyclopropanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 172438180
1-[(4-Benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide
CID 6458868
Cyclopropyl-[4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 39580492

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide (CID 118795725) is 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)CCN2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is SBTBRADUJKJKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c22-16-21(18-4-2-1-3-5-18)9-14-25(15-10-21)19(26)8-13-24-11-6-17(7-12-24)20(23)27/h1-5,17H,6-15H2,(H2,23,27).
What are the key properties of 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide?
1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyano-4-phenylpiperidin-1-yl)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 118795725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).