2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide

C19H29N3O2 — CID 75505537

IUPAC2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,24)17-9-6-12-22(17)18(23)20-15-10-13-21(14-11-15)16-7-4-3-5-8-16/h3-5,7-8,15,17,24H,6,9-14H2,1-2H3,(H,20,23)
InChIKeyGHHRXTZSZIPZEL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide

2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 75505537) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID75505537
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,24)17-9-6-12-22(17)18(23)20-15-10-13-21(14-11-15)16-7-4-3-5-8-16/h3-5,7-8,15,17,24H,6,9-14H2,1-2H3,(H,20,23)
InChIKeyGHHRXTZSZIPZEL-UHFFFAOYSA-N
XLogP2.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 127775822
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 97330210
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
(E)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 13430534
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660886
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 75505537) is 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide is CC(C)(O)C1CCCN1C(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is GHHRXTZSZIPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,24)17-9-6-12-22(17)18(23)20-15-10-13-21(14-11-15)16-7-4-3-5-8-16/h3-5,7-8,15,17,24H,6,9-14H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide?
2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75505537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).