1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride

C14H21Cl3N4O2 — CID 119856586

IUPAC1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O2.2ClH/c15-11-1-2-12(17-9-11)18-14(21)10-4-7-19(8-5-10)13(20)3-6-16;;/h1-2,9-10H,3-8,16H2,(H,17,18,21);2*1H
InChIKeyDECJBTKAYNTVGM-UHFFFAOYSA-N
MW383.71 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119856586) has the molecular formula C14H21Cl3N4O2 and a molecular weight of 383.71 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119856586
Molecular FormulaC14H21Cl3N4O2
Molecular Weight383.71 g/mol
Exact Mass382.07
IUPAC Name1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O2.2ClH/c15-11-1-2-12(17-9-11)18-14(21)10-4-7-19(8-5-10)13(20)3-6-16;;/h1-2,9-10H,3-8,16H2,(H,17,18,21);2*1H
InChIKeyDECJBTKAYNTVGM-UHFFFAOYSA-N
XLogP2.10
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.71
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
CID 55931139
1-[2-(3-carbamoylphenoxy)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55923899
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55812910
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
CID 55924672

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (CID 119856586) is 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is Cl.Cl.NCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is DECJBTKAYNTVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2.2ClH/c15-11-1-2-12(17-9-11)18-14(21)10-4-7-19(8-5-10)13(20)3-6-16;;/h1-2,9-10H,3-8,16H2,(H,17,18,21);2*1H.
What are the key properties of 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 383.71 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119856586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).