1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide

C17H22ClN5O — CID 51080012

IUPAC1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN5O/c1-13(11-22-9-6-19-12-22)21-17(24)14-4-7-23(8-5-14)16-3-2-15(18)10-20-16/h2-3,6,9-10,12-14H,4-5,7-8,11H2,1H3,(H,21,24)
InChIKeyHPHMBRGYMOHGDH-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.35
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 51080012) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide
PubChem CID51080012
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN5O/c1-13(11-22-9-6-19-12-22)21-17(24)14-4-7-23(8-5-14)16-3-2-15(18)10-20-16/h2-3,6,9-10,12-14H,4-5,7-8,11H2,1H3,(H,21,24)
InChIKeyHPHMBRGYMOHGDH-UHFFFAOYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
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1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
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1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
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1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
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CID 39705993
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
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CID 55687112
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide (CID 51080012) is 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide is CC(Cn1ccnc1)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is HPHMBRGYMOHGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-13(11-22-9-6-19-12-22)21-17(24)14-4-7-23(8-5-14)16-3-2-15(18)10-20-16/h2-3,6,9-10,12-14H,4-5,7-8,11H2,1H3,(H,21,24).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51080012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).