4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide

C16H25ClN4O — CID 75464207

IUPAC4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
SMILESCC(C)C(C)CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H25ClN4O/c1-12(2)13(3)10-19-16(22)21-8-6-20(7-9-21)15-5-4-14(17)11-18-15/h4-5,11-13H,6-10H2,1-3H3,(H,19,22)
InChIKeyAPPBTNSSOPCVJX-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.86
Rot. Bonds4

About 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide (PubChem CID 75464207) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
PubChem CID75464207
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
SMILESCC(C)C(C)CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H25ClN4O/c1-12(2)13(3)10-19-16(22)21-8-6-20(7-9-21)15-5-4-14(17)11-18-15/h4-5,11-13H,6-10H2,1-3H3,(H,19,22)
InChIKeyAPPBTNSSOPCVJX-UHFFFAOYSA-N
XLogP2.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
CID 95905728
4-(5-chloro-2-pyridinyl)-N-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 75464215
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 125447527
4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide
CID 86850577
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044
4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 75506359
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241
4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
CID 121498779
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119848016
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide (CID 75464207) is 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide is CC(C)C(C)CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide?
The InChIKey is APPBTNSSOPCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-12(2)13(3)10-19-16(22)21-8-6-20(7-9-21)15-5-4-14(17)11-18-15/h4-5,11-13H,6-10H2,1-3H3,(H,19,22).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide has a molecular weight of 324.86 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 75464207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).