N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119311611

IUPACN-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCCNC1)C(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-12-21(18(23)15-8-7-11-19-13-15)14(2)17(22)20-16-9-5-4-6-10-16;/h4-6,9-10,14-15,19H,3,7-8,11-13H2,1-2H3,(H,20,22);1H
InChIKeyQDCCHMKHNVTXOJ-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.67
Rot. Bonds6

About N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride

N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119311611) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
PubChem CID119311611
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCCNC1)C(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-12-21(18(23)15-8-7-11-19-13-15)14(2)17(22)20-16-9-5-4-6-10-16;/h4-6,9-10,14-15,19H,3,7-8,11-13H2,1-2H3,(H,20,22);1H
InChIKeyQDCCHMKHNVTXOJ-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
N-phenyl-2-(piperidin-3-ylmethoxy)propanamide
CID 62340568
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
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4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591026
N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
CID 119306124
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-3-carboxamide
CID 119309205
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride (CID 119311611) is N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride is CCCN(C(=O)C1CCCNC1)C(C)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QDCCHMKHNVTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-3-12-21(18(23)15-8-7-11-19-13-15)14(2)17(22)20-16-9-5-4-6-10-16;/h4-6,9-10,14-15,19H,3,7-8,11-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride?
N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119311611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).