(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate

C28H31N3O4 — CID 21352738

IUPAC(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31N3O4/c1-34-24-13-11-23(12-14-24)27(32)29-25-9-5-6-10-26(25)30-28(33)35-20-22-15-17-31(18-16-22)19-21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyXAXLIVVAELFCJF-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.41
Rot. Bonds8

About (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate

(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate (PubChem CID 21352738) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
PubChem CID21352738
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31N3O4/c1-34-24-13-11-23(12-14-24)27(32)29-25-9-5-6-10-26(25)30-28(33)35-20-22-15-17-31(18-16-22)19-21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyXAXLIVVAELFCJF-UHFFFAOYSA-N
XLogP5.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352739
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352745

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The IUPAC name of (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate (CID 21352738) is (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The canonical SMILES for (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate is COc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The InChIKey is XAXLIVVAELFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-24-13-11-23(12-14-24)27(32)29-25-9-5-6-10-26(25)30-28(33)35-20-22-15-17-31(18-16-22)19-21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,29,32)(H,30,33).
What are the key properties of (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate has a molecular weight of 473.57 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 21352738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).