3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide

C16H23N3O2 — CID 90380541

IUPAC3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
SMILESCC(C)NC1CCN(C(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)18-14-6-8-19(9-7-14)16(21)13-5-3-4-12(10-13)15(17)20/h3-5,10-11,14,18H,6-9H2,1-2H3,(H2,17,20)
InChIKeyPAGHIRIHIIDWMW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.39
Rot. Bonds4

About 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide

3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide (PubChem CID 90380541) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
PubChem CID90380541
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
SMILESCC(C)NC1CCN(C(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)18-14-6-8-19(9-7-14)16(21)13-5-3-4-12(10-13)15(17)20/h3-5,10-11,14,18H,6-9H2,1-2H3,(H2,17,20)
InChIKeyPAGHIRIHIIDWMW-UHFFFAOYSA-N
XLogP1.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
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CID 119595557
3-(4-propan-2-ylpiperidine-1-carbonyl)benzenecarbothioamide
CID 103495637
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
CID 119520999

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide?
The IUPAC name of 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide (CID 90380541) is 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide?
The canonical SMILES for 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide is CC(C)NC1CCN(C(=O)c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide?
The InChIKey is PAGHIRIHIIDWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)18-14-6-8-19(9-7-14)16(21)13-5-3-4-12(10-13)15(17)20/h3-5,10-11,14,18H,6-9H2,1-2H3,(H2,17,20).
What are the key properties of 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide?
3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 90380541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).