4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

C20H30N4O3 — CID 127294442

IUPAC4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-9-22-10-7-16(8-11-22)21-20(27)24-14-12-23(13-15-24)19(26)17-5-3-4-6-18(17)25/h3-6,16,25H,2,7-15H2,1H3,(H,21,27)
InChIKeyNQFWBZBONIKTCK-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.73
Rot. Bonds4

About 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 127294442) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID127294442
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-9-22-10-7-16(8-11-22)21-20(27)24-14-12-23(13-15-24)19(26)17-5-3-4-6-18(17)25/h3-6,16,25H,2,7-15H2,1H3,(H,21,27)
InChIKeyNQFWBZBONIKTCK-UHFFFAOYSA-N
XLogP1.73
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
N-(4-ethylcyclohexyl)-4-(2-fluorobenzoyl)piperazine-1-carboxamide
CID 87039063
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
4-(5-chloro-2-methylphenyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 78832468
2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide
CID 173423133
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 71889407

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide (CID 127294442) is 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide is CCCN1CCC(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1.
What is the InChIKey of 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is NQFWBZBONIKTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-9-22-10-7-16(8-11-22)21-20(27)24-14-12-23(13-15-24)19(26)17-5-3-4-6-18(17)25/h3-6,16,25H,2,7-15H2,1H3,(H,21,27).
What are the key properties of 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 127294442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).