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

C17H25N3O2 — CID 111428348

IUPAC2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)N1CCCC1CO
InChIInChI=1S/C17H25N3O2/c21-13-16-9-5-11-20(16)17(22)18-14-6-4-10-19(12-14)15-7-2-1-3-8-15/h1-3,7-8,14,16,21H,4-6,9-13H2,(H,18,22)
InChIKeyDLIJTLZOIWMSKR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.82
Rot. Bonds3

About 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 111428348) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
PubChem CID111428348
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)N1CCCC1CO
InChIInChI=1S/C17H25N3O2/c21-13-16-9-5-11-20(16)17(22)18-14-6-4-10-19(12-14)15-7-2-1-3-8-15/h1-3,7-8,14,16,21H,4-6,9-13H2,(H,18,22)
InChIKeyDLIJTLZOIWMSKR-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
(2S)-2-(hydroxymethyl)-N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 124743744
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660886
N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118089
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide (CID 111428348) is 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide is O=C(NC1CCCN(c2ccccc2)C1)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is DLIJTLZOIWMSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-13-16-9-5-11-20(16)17(22)18-14-6-4-10-19(12-14)15-7-2-1-3-8-15/h1-3,7-8,14,16,21H,4-6,9-13H2,(H,18,22).
What are the key properties of 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).