N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

C26H35N3O3 — CID 60586832

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C26H35N3O3/c1-31-22-10-11-23(25(17-22)32-2)24-9-6-14-29(24)26(30)27-18-20-12-15-28(16-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,20,24H,6,9,12-16,18-19H2,1-2H3,(H,27,30)
InChIKeyYUAKPXFWMYGOSO-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.46
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 60586832) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID60586832
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C26H35N3O3/c1-31-22-10-11-23(25(17-22)32-2)24-9-6-14-29(24)26(30)27-18-20-12-15-28(16-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,20,24H,6,9,12-16,18-19H2,1-2H3,(H,27,30)
InChIKeyYUAKPXFWMYGOSO-UHFFFAOYSA-N
XLogP4.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
2-(2,4-dimethoxyphenyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 60547492
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
(2R)-2-(2,5-dimethoxyphenyl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124370
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
CID 60614114
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 60586832) is N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YUAKPXFWMYGOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-31-22-10-11-23(25(17-22)32-2)24-9-6-14-29(24)26(30)27-18-20-12-15-28(16-13-20)19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,20,24H,6,9,12-16,18-19H2,1-2H3,(H,27,30).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60586832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).