1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119311754

IUPAC1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCCN(C(=O)CCN)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-7-14-12(17)10-4-3-8-15(9-10)11(16)5-6-13;/h10H,2-9,13H2,1H3,(H,14,17);1H
InChIKeyQWINDLFYKVBNFA-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.52
Rot. Bonds5

About 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride

1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119311754) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
PubChem CID119311754
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCCN(C(=O)CCN)C1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-2-7-14-12(17)10-4-3-8-15(9-10)11(16)5-6-13;/h10H,2-9,13H2,1H3,(H,14,17);1H
InChIKeyQWINDLFYKVBNFA-UHFFFAOYSA-N
XLogP0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
1-(3-aminocyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119763367
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride (CID 119311754) is 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride is CCCNC(=O)C1CCCN(C(=O)CCN)C1.Cl.
What is the InChIKey of 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QWINDLFYKVBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-2-7-14-12(17)10-4-3-8-15(9-10)11(16)5-6-13;/h10H,2-9,13H2,1H3,(H,14,17);1H.
What are the key properties of 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride?
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119311754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).