4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide

C11H15ClN4O — CID 125493454

IUPAC4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C11H15ClN4O/c12-8-7-15-4-1-9(8)16-5-2-11(14,3-6-16)10(13)17/h1,4,7H,2-3,5-6,14H2,(H2,13,17)
InChIKeyRYOOTPLLFPAPFD-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.52
Rot. Bonds2

About 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide

4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 125493454) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID125493454
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C11H15ClN4O/c12-8-7-15-4-1-9(8)16-5-2-11(14,3-6-16)10(13)17/h1,4,7H,2-3,5-6,14H2,(H2,13,17)
InChIKeyRYOOTPLLFPAPFD-UHFFFAOYSA-N
XLogP0.52
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 171992936
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 75457035
1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 166190800
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964613
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]butanethioamide
CID 79840320

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide (CID 125493454) is 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1(N)CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RYOOTPLLFPAPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-8-7-15-4-1-9(8)16-5-2-11(14,3-6-16)10(13)17/h1,4,7H,2-3,5-6,14H2,(H2,13,17).
What are the key properties of 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide?
4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-chloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 125493454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).