4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide

C20H25ClN4O — CID 126427446

IUPAC4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)N[C@@H](C)Cc2ccccn2)CC1
InChIInChI=1S/C20H25ClN4O/c1-15-6-7-17(21)14-19(15)24-9-11-25(12-10-24)20(26)23-16(2)13-18-5-3-4-8-22-18/h3-8,14,16H,9-13H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyLAYZPNGRWVPNAJ-INIZCTEOSA-N
MW372.90 g/mol
LogP3.51
Rot. Bonds4

About 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide (PubChem CID 126427446) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
PubChem CID126427446
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)N[C@@H](C)Cc2ccccn2)CC1
InChIInChI=1S/C20H25ClN4O/c1-15-6-7-17(21)14-19(15)24-9-11-25(12-10-24)20(26)23-16(2)13-18-5-3-4-8-22-18/h3-8,14,16H,9-13H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyLAYZPNGRWVPNAJ-INIZCTEOSA-N
XLogP3.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78844020
4-(2,5-difluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperazine-1-carboxamide
CID 136515931
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
3-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119829106
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide (CID 126427446) is 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide is Cc1ccc(Cl)cc1N1CCN(C(=O)N[C@@H](C)Cc2ccccn2)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide?
The InChIKey is LAYZPNGRWVPNAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-15-6-7-17(21)14-19(15)24-9-11-25(12-10-24)20(26)23-16(2)13-18-5-3-4-8-22-18/h3-8,14,16H,9-13H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.51, 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-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126427446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).