1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C16H20N4O2 — CID 43824034

IUPAC1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H20N4O2/c1-11(20-8-6-13(7-9-20)15(18)21)16(22)19-14-4-2-12(10-17)3-5-14/h2-5,11,13H,6-9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyXAHZCORPMZREPL-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds4

About 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 43824034) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID43824034
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H20N4O2/c1-11(20-8-6-13(7-9-20)15(18)21)16(22)19-14-4-2-12(10-17)3-5-14/h2-5,11,13H,6-9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyXAHZCORPMZREPL-UHFFFAOYSA-N
XLogP1.08
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 43824034) is 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CC(C(=O)Nc1ccc(C#N)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is XAHZCORPMZREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(20-8-6-13(7-9-20)15(18)21)16(22)19-14-4-2-12(10-17)3-5-14/h2-5,11,13H,6-9H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43824034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).