N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide

C15H22ClN3O2 — CID 111519709

IUPACN-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-2-14(11-20)18-7-9-19(10-8-18)15(21)17-13-5-3-12(16)4-6-13/h3-6,14,20H,2,7-11H2,1H3,(H,17,21)
InChIKeyTUKWAHPRPZZQFV-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.26
Rot. Bonds4

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

N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (PubChem CID 111519709) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
PubChem CID111519709
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-2-14(11-20)18-7-9-19(10-8-18)15(21)17-13-5-3-12(16)4-6-13/h3-6,14,20H,2,7-11H2,1H3,(H,17,21)
InChIKeyTUKWAHPRPZZQFV-UHFFFAOYSA-N
XLogP2.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519706
4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
CID 96536158
N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111754219
N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 71973172
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476697
N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
CID 9166248
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
N-(4-chlorophenyl)-4-ethylsulfonyl-1,4-diazepane-1-carboxamide
CID 47812768
4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 95788878

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (CID 111519709) is N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is CCC(CO)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The InChIKey is TUKWAHPRPZZQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-2-14(11-20)18-7-9-19(10-8-18)15(21)17-13-5-3-12(16)4-6-13/h3-6,14,20H,2,7-11H2,1H3,(H,17,21).
What are the key properties of N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 111519709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).