N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide

C27H38N2O4 — CID 4255296

IUPACN-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C27H38N2O4/c1-5-6-16-29(19-21-10-8-7-9-11-21)27(30)22-14-17-28(18-15-22)20-23-12-13-24(31-2)26(33-4)25(23)32-3/h7-13,22H,5-6,14-20H2,1-4H3
InChIKeyWCGLHQDKIFPKGE-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.75
Rot. Bonds11

About N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide

N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 4255296) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID4255296
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C27H38N2O4/c1-5-6-16-29(19-21-10-8-7-9-11-21)27(30)22-14-17-28(18-15-22)20-23-12-13-24(31-2)26(33-4)25(23)32-3/h7-13,22H,5-6,14-20H2,1-4H3
InChIKeyWCGLHQDKIFPKGE-UHFFFAOYSA-N
XLogP4.75
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-benzyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3994256
N-benzyl-N-butyl-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328429
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-benzyl-N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328501
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 45355062
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 4255296) is N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide is CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WCGLHQDKIFPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-5-6-16-29(19-21-10-8-7-9-11-21)27(30)22-14-17-28(18-15-22)20-23-12-13-24(31-2)26(33-4)25(23)32-3/h7-13,22H,5-6,14-20H2,1-4H3.
What are the key properties of N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 454.61 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 4255296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).