1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide

C31H35N3O5 — CID 46356914

IUPAC1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2cccc(OC)c2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C31H35N3O5/c1-23(35)33-18-16-31(17-19-33,30(37)32-21-24-8-5-4-6-9-24)34(22-25-10-7-11-28(20-25)39-3)29(36)26-12-14-27(38-2)15-13-26/h4-15,20H,16-19,21-22H2,1-3H3,(H,32,37)
InChIKeyYKVDPYMFHUUSSB-UHFFFAOYSA-N
MW529.64 g/mol
LogP4.04
Rot. Bonds9

About 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide

1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide (PubChem CID 46356914) has the molecular formula C31H35N3O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide
PubChem CID46356914
Molecular FormulaC31H35N3O5
Molecular Weight529.64 g/mol
Exact Mass529.26
IUPAC Name1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N(Cc2cccc(OC)c2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C31H35N3O5/c1-23(35)33-18-16-31(17-19-33,30(37)32-21-24-8-5-4-6-9-24)34(22-25-10-7-11-28(20-25)39-3)29(36)26-12-14-27(38-2)15-13-26/h4-15,20H,16-19,21-22H2,1-3H3,(H,32,37)
InChIKeyYKVDPYMFHUUSSB-UHFFFAOYSA-N
XLogP4.04
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide (CID 46356914) is 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide is COc1ccc(C(=O)N(Cc2cccc(OC)c2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide?
The InChIKey is YKVDPYMFHUUSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5/c1-23(35)33-18-16-31(17-19-33,30(37)32-21-24-8-5-4-6-9-24)34(22-25-10-7-11-28(20-25)39-3)29(36)26-12-14-27(38-2)15-13-26/h4-15,20H,16-19,21-22H2,1-3H3,(H,32,37).
What are the key properties of 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide?
1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide has a molecular weight of 529.64 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(3-methoxyphenyl)methyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 46356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).