4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide

C19H28N4O3 — CID 167989542

IUPAC4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCC1CCNCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H28N4O3/c24-17-3-1-16(2-4-17)18(25)22-11-13-23(14-12-22)19(26)21-10-7-15-5-8-20-9-6-15/h1-4,15,20,24H,5-14H2,(H,21,26)
InChIKeyHOXNKVHUSFDSEJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.25
Rot. Bonds4

About 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide

4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 167989542) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
PubChem CID167989542
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCC1CCNCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H28N4O3/c24-17-3-1-16(2-4-17)18(25)22-11-13-23(14-12-22)19(26)21-10-7-15-5-8-20-9-6-15/h1-4,15,20,24H,5-14H2,(H,21,26)
InChIKeyHOXNKVHUSFDSEJ-UHFFFAOYSA-N
XLogP1.25
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019335
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 87000027
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119683440
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
methyl 2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetate;hydrochloride
CID 22362311
4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide
CID 119064722
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide (CID 167989542) is 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide is O=C(NCCC1CCNCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is HOXNKVHUSFDSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-17-3-1-16(2-4-17)18(25)22-11-13-23(14-12-22)19(26)21-10-7-15-5-8-20-9-6-15/h1-4,15,20,24H,5-14H2,(H,21,26).
What are the key properties of 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide?
4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 167989542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).