N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide

C16H24ClN3O2 — CID 71973172

IUPACN-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2cccc(C)c2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-3-13(11-21)19-7-9-20(10-8-19)16(22)18-14-6-4-5-12(2)15(14)17/h4-6,13,21H,3,7-11H2,1-2H3,(H,18,22)
InChIKeyZWNWIHYBEYGTLD-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.57
Rot. Bonds4

About N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide

N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (PubChem CID 71973172) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
PubChem CID71973172
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2cccc(C)c2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-3-13(11-21)19-7-9-20(10-8-19)16(22)18-14-6-4-5-12(2)15(14)17/h4-6,13,21H,3,7-11H2,1-2H3,(H,18,22)
InChIKeyZWNWIHYBEYGTLD-UHFFFAOYSA-N
XLogP2.57
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111754219
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519706
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide
CID 99839363
N-(2,3-dimethylphenyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]acetamide
CID 111489813
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
(4-chloro-3-methylphenyl)-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]methanone
CID 99776499
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497048
4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
CID 96536158
N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
CID 96996719

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (CID 71973172) is N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is CCC(CO)N1CCN(C(=O)Nc2cccc(C)c2Cl)CC1.
What is the InChIKey of N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The InChIKey is ZWNWIHYBEYGTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-3-13(11-21)19-7-9-20(10-8-19)16(22)18-14-6-4-5-12(2)15(14)17/h4-6,13,21H,3,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71973172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).