N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide

C21H31N3O3 — CID 71889407

IUPACN-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCCCCC1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C21H31N3O3/c25-19-11-7-6-10-18(19)20(26)23-12-14-24(15-13-23)21(27)22-16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17,25H,1-5,8-9,12-16H2,(H,22,27)
InChIKeyXXBBSZZDYPJNSF-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.22
Rot. Bonds3

About N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide

N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide (PubChem CID 71889407) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
PubChem CID71889407
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCCCCC1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C21H31N3O3/c25-19-11-7-6-10-18(19)20(26)23-12-14-24(15-13-23)21(27)22-16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17,25H,1-5,8-9,12-16H2,(H,22,27)
InChIKeyXXBBSZZDYPJNSF-UHFFFAOYSA-N
XLogP3.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 132965547
N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
CID 155946339
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
4-benzoyl-N-(oxan-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 136578291
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
2-[4-[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55460390
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide (CID 71889407) is N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide is O=C(NCC1CCCCCCC1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
The InChIKey is XXBBSZZDYPJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-19-11-7-6-10-18(19)20(26)23-12-14-24(15-13-23)21(27)22-16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17,25H,1-5,8-9,12-16H2,(H,22,27).
What are the key properties of N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide?
N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 71889407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).