4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

C20H31ClN4O — CID 78832468

IUPAC4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1
InChIInChI=1S/C20H31ClN4O/c1-3-8-23-9-6-18(7-10-23)22-20(26)25-13-11-24(12-14-25)19-15-17(21)5-4-16(19)2/h4-5,15,18H,3,6-14H2,1-2H3,(H,22,26)
InChIKeyBZDOPGVGCQQQHI-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.35
Rot. Bonds4

About 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 78832468) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID78832468
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC Name4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1
InChIInChI=1S/C20H31ClN4O/c1-3-8-23-9-6-18(7-10-23)22-20(26)25-13-11-24(12-14-25)19-15-17(21)5-4-16(19)2/h4-5,15,18H,3,6-14H2,1-2H3,(H,22,26)
InChIKeyBZDOPGVGCQQQHI-UHFFFAOYSA-N
XLogP3.35
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025142
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-propan-2-ylpiperazine-1-carboxamide
CID 17424002
4-(5-chloro-2-methylphenyl)-N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 111264177
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
1-[4-[[C-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111264363
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide (CID 78832468) is 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide is CCCN1CCC(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is BZDOPGVGCQQQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O/c1-3-8-23-9-6-18(7-10-23)22-20(26)25-13-11-24(12-14-25)19-15-17(21)5-4-16(19)2/h4-5,15,18H,3,6-14H2,1-2H3,(H,22,26).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 378.95 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 78832468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).