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

C16H24ClN3O2 — CID 111754219

IUPACN-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-3-13(11-21)19-6-8-20(9-7-19)16(22)18-15-5-4-12(2)10-14(15)17/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,18,22)
InChIKeyUBARCEKDJWPTDA-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.57
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (PubChem CID 111754219) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
PubChem CID111754219
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-3-13(11-21)19-6-8-20(9-7-19)16(22)18-15-5-4-12(2)10-14(15)17/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,18,22)
InChIKeyUBARCEKDJWPTDA-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-propan-2-ylpiperazine-1-carboxamide
CID 17148611
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519706
N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 71973172
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
(4-chloro-3-methylphenyl)-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]methanone
CID 99776499
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
CID 96536158
N-(2-bromo-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103375
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (CID 111754219) is N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is CCC(CO)N1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The InChIKey is UBARCEKDJWPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-3-13(11-21)19-6-8-20(9-7-19)16(22)18-15-5-4-12(2)10-14(15)17/h4-5,10,13,21H,3,6-9,11H2,1-2H3,(H,18,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
N-(2-chloro-4-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-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 111754219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).