2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide

C20H31N3O2 — CID 111428047

IUPAC2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(C(CNC(=O)N2CCCC2CO)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-16-9-12-22(13-10-16)19(17-6-3-2-4-7-17)14-21-20(25)23-11-5-8-18(23)15-24/h2-4,6-7,16,18-19,24H,5,8-15H2,1H3,(H,21,25)
InChIKeyCFXKXQUFOIALMQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.63
Rot. Bonds5

About 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide (PubChem CID 111428047) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
PubChem CID111428047
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(C(CNC(=O)N2CCCC2CO)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-16-9-12-22(13-10-16)19(17-6-3-2-4-7-17)14-21-20(25)23-11-5-8-18(23)15-24/h2-4,6-7,16,18-19,24H,5,8-15H2,1H3,(H,21,25)
InChIKeyCFXKXQUFOIALMQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide
CID 111508836
1-(3-hydroxypropyl)-3-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]urea
CID 110902742
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62878683
N-(2,2-dimethyl-3-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428373
(2R)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96999494

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide (CID 111428047) is 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide is CC1CCN(C(CNC(=O)N2CCCC2CO)c2ccccc2)CC1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide?
The InChIKey is CFXKXQUFOIALMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-9-12-22(13-10-16)19(17-6-3-2-4-7-17)14-21-20(25)23-11-5-8-18(23)15-24/h2-4,6-7,16,18-19,24H,5,8-15H2,1H3,(H,21,25).
What are the key properties of 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).