4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

C18H28N4O2 — CID 70745675

IUPAC4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(CC2(O)CCCNC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-5-2-3-6-16(15)20-17(23)22-11-9-21(10-12-22)14-18(24)7-4-8-19-13-18/h2-3,5-6,19,24H,4,7-14H2,1H3,(H,20,23)
InChIKeyLNLZISWYACBWMR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.26
Rot. Bonds3

About 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide

4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 70745675) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID70745675
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(CC2(O)CCCNC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-5-2-3-6-16(15)20-17(23)22-11-9-21(10-12-22)14-18(24)7-4-8-19-13-18/h2-3,5-6,19,24H,4,7-14H2,1H3,(H,20,23)
InChIKeyLNLZISWYACBWMR-UHFFFAOYSA-N
XLogP1.26
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
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4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 90507025
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
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CID 154837725
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
2-benzyl-8-[(3-hydroxypiperidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 70711310
N-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 169493392
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide (CID 70745675) is 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(CC2(O)CCCNC2)CC1.
What is the InChIKey of 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is LNLZISWYACBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-5-2-3-6-16(15)20-17(23)22-11-9-21(10-12-22)14-18(24)7-4-8-19-13-18/h2-3,5-6,19,24H,4,7-14H2,1H3,(H,20,23).
What are the key properties of 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide?
4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypiperidin-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 70745675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).