1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119425062

IUPAC1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(=O)N1CCCC(C(=O)NC2CCCNC2)C1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-10(17)16-7-3-4-11(9-16)13(18)15-12-5-2-6-14-8-12;/h11-12,14H,2-9H2,1H3,(H,15,18);1H
InChIKeyYCBBEOJFOHBHRV-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.53
Rot. Bonds2

About 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride

1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119425062) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119425062
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(=O)N1CCCC(C(=O)NC2CCCNC2)C1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-10(17)16-7-3-4-11(9-16)13(18)15-12-5-2-6-14-8-12;/h11-12,14H,2-9H2,1H3,(H,15,18);1H
InChIKeyYCBBEOJFOHBHRV-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-piperidin-3-ylpiperidine-3-carboxamide
CID 119428284
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
1-acetyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555744
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
4-methyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 81470564
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride (CID 119425062) is 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride is CC(=O)N1CCCC(C(=O)NC2CCCNC2)C1.Cl.
What is the InChIKey of 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is YCBBEOJFOHBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-10(17)16-7-3-4-11(9-16)13(18)15-12-5-2-6-14-8-12;/h11-12,14H,2-9H2,1H3,(H,15,18);1H.
What are the key properties of 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride?
1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119425062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).