3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide

C17H25N3O2 — CID 111444148

IUPAC3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)N1CCC(CO)C1
InChIInChI=1S/C17H25N3O2/c21-13-14-8-10-20(11-14)17(22)18-15-5-4-9-19(12-15)16-6-2-1-3-7-16/h1-3,6-7,14-15,21H,4-5,8-13H2,(H,18,22)
InChIKeyMEMDJSPHBXZNDE-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.68
Rot. Bonds3

About 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 111444148) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
PubChem CID111444148
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)N1CCC(CO)C1
InChIInChI=1S/C17H25N3O2/c21-13-14-8-10-20(11-14)17(22)18-15-5-4-9-19(12-15)16-6-2-1-3-7-16/h1-3,6-7,14-15,21H,4-5,8-13H2,(H,18,22)
InChIKeyMEMDJSPHBXZNDE-UHFFFAOYSA-N
XLogP1.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71921021
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide (CID 111444148) is 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide is O=C(NC1CCCN(c2ccccc2)C1)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is MEMDJSPHBXZNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-13-14-8-10-20(11-14)17(22)18-15-5-4-9-19(12-15)16-6-2-1-3-7-16/h1-3,6-7,14-15,21H,4-5,8-13H2,(H,18,22).
What are the key properties of 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111444148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).