4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide

C15H22ClN3O — CID 17424002

IUPAC4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(2)17-15(20)19-8-6-18(7-9-19)14-10-13(16)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChIKeyHJSKNBBVKXWRFU-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.89
Rot. Bonds2

About 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 17424002) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID17424002
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(2)17-15(20)19-8-6-18(7-9-19)14-10-13(16)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20)
InChIKeyHJSKNBBVKXWRFU-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
CID 126427446
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
3-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119829106
4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025142
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
CID 8591101
4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78844020
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 17424002) is 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide is Cc1ccc(Cl)cc1N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is HJSKNBBVKXWRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(2)17-15(20)19-8-6-18(7-9-19)14-10-13(16)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,20).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17424002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).