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

C25H33N3O2 — CID 60586835

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-30-23-11-9-22(10-12-23)24-8-5-15-28(24)25(29)26-18-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,26,29)
InChIKeyIXUBDAAEGDWMSJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.45
Rot. Bonds6

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

N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 60586835) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID60586835
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c1-30-23-11-9-22(10-12-23)24-8-5-15-28(24)25(29)26-18-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,26,29)
InChIKeyIXUBDAAEGDWMSJ-UHFFFAOYSA-N
XLogP4.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60586832
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60605560
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42920541

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 60586835) is N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is IXUBDAAEGDWMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-23-11-9-22(10-12-23)24-8-5-15-28(24)25(29)26-18-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,26,29).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60586835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).