N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide

C16H24ClN3O — CID 51386952

IUPACN-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C16H24ClN3O/c1-4-13(3)18-16(21)20-9-7-19(8-10-20)15-11-14(17)6-5-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyAMSGVOHJKCOBPM-CYBMUJFWSA-N
MW309.84 g/mol
LogP3.28
Rot. Bonds3

About N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide

N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide (PubChem CID 51386952) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
PubChem CID51386952
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C16H24ClN3O/c1-4-13(3)18-16(21)20-9-7-19(8-10-20)15-11-14(17)6-5-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyAMSGVOHJKCOBPM-CYBMUJFWSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
CID 126427446
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
3-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119829106
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylbutan-1-one
CID 28572840
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 78832468
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
N-butan-2-yl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 11837025
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide (CID 51386952) is N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide is CC[C@@H](C)NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is AMSGVOHJKCOBPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-13(3)18-16(21)20-9-7-19(8-10-20)15-11-14(17)6-5-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide?
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51386952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).