4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide

C17H25N3O2 — CID 111106611

IUPAC4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)C1)N1CCC(CO)CC1
InChIInChI=1S/C17H25N3O2/c21-13-14-6-9-19(10-7-14)17(22)18-15-8-11-20(12-15)16-4-2-1-3-5-16/h1-5,14-15,21H,6-13H2,(H,18,22)
InChIKeyAFCWIIHVGNUMQV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.68
Rot. Bonds3

About 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide (PubChem CID 111106611) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
PubChem CID111106611
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)C1)N1CCC(CO)CC1
InChIInChI=1S/C17H25N3O2/c21-13-14-6-9-19(10-7-14)17(22)18-15-8-11-20(12-15)16-4-2-1-3-5-16/h1-5,14-15,21H,6-13H2,(H,18,22)
InChIKeyAFCWIIHVGNUMQV-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

3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660886
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106606
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide (CID 111106611) is 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide is O=C(NC1CCN(c2ccccc2)C1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide?
The InChIKey is AFCWIIHVGNUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-13-14-6-9-19(10-7-14)17(22)18-15-8-11-20(12-15)16-4-2-1-3-5-16/h1-5,14-15,21H,6-13H2,(H,18,22).
What are the key properties of 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-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 4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111106611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).