4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide

C17H27ClN4O2 — CID 95905728

IUPAC4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
SMILESCO[C@@H](CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(C)(C)C
InChIInChI=1S/C17H27ClN4O2/c1-17(2,3)14(24-4)12-20-16(23)22-9-7-21(8-10-22)15-6-5-13(18)11-19-15/h5-6,11,14H,7-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyYTQBVIYPARNQJX-AWEZNQCLSA-N
MW354.88 g/mol
LogP2.63
Rot. Bonds4

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

4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide (PubChem CID 95905728) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
PubChem CID95905728
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
SMILESCO[C@@H](CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(C)(C)C
InChIInChI=1S/C17H27ClN4O2/c1-17(2,3)14(24-4)12-20-16(23)22-9-7-21(8-10-22)15-6-5-13(18)11-19-15/h5-6,11,14H,7-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyYTQBVIYPARNQJX-AWEZNQCLSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119848016
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-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide
CID 86850577
4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
CID 125438765
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 125447527
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111710166
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
CID 121498779

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide (CID 95905728) is 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide is CO[C@@H](CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(C)(C)C.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide?
The InChIKey is YTQBVIYPARNQJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-17(2,3)14(24-4)12-20-16(23)22-9-7-21(8-10-22)15-6-5-13(18)11-19-15/h5-6,11,14H,7-10,12H2,1-4H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide is sourced from PubChem (CID 95905728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).