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

C24H32N4O2 — CID 112835200

IUPAC4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)N2CCN(c3cccc(O)c3)CC2)CC1
InChIInChI=1S/C24H32N4O2/c1-19-5-2-3-6-20(19)18-26-11-9-21(10-12-26)25-24(30)28-15-13-27(14-16-28)22-7-4-8-23(29)17-22/h2-8,17,21,29H,9-16,18H2,1H3,(H,25,30)
InChIKeyKCACDYGNIHURDU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.20
Rot. Bonds4

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

4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide (PubChem CID 112835200) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
PubChem CID112835200
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)N2CCN(c3cccc(O)c3)CC2)CC1
InChIInChI=1S/C24H32N4O2/c1-19-5-2-3-6-20(19)18-26-11-9-21(10-12-26)25-24(30)28-15-13-27(14-16-28)22-7-4-8-23(29)17-22/h2-8,17,21,29H,9-16,18H2,1H3,(H,25,30)
InChIKeyKCACDYGNIHURDU-UHFFFAOYSA-N
XLogP3.20
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetyl-2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 55796259
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 112835191
5-methyl-1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122122094
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 126785841
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 112553604
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
1-(2,5-dimethylphenyl)-3-[1-(3-hydroxyphenyl)piperidin-4-yl]urea
CID 168974043
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide (CID 112835200) is 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide is Cc1ccccc1CN1CCC(NC(=O)N2CCN(c3cccc(O)c3)CC2)CC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide?
The InChIKey is KCACDYGNIHURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19-5-2-3-6-20(19)18-26-11-9-21(10-12-26)25-24(30)28-15-13-27(14-16-28)22-7-4-8-23(29)17-22/h2-8,17,21,29H,9-16,18H2,1H3,(H,25,30).
What are the key properties of 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide?
4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 112835200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).