N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide

C15H21N3O — CID 95155812

IUPACN-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccc2)C1)N1CCCC1
InChIInChI=1S/C15H21N3O/c19-15(17-9-4-5-10-17)16-13-8-11-18(12-13)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,16,19)/t13-/m0/s1
InChIKeyCRMWBDUUWSYDAO-ZDUSSCGKSA-N
MW259.35 g/mol
LogP2.07
Rot. Bonds2

About N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide

N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 95155812) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID95155812
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccc2)C1)N1CCCC1
InChIInChI=1S/C15H21N3O/c19-15(17-9-4-5-10-17)16-13-8-11-18(12-13)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,16,19)/t13-/m0/s1
InChIKeyCRMWBDUUWSYDAO-ZDUSSCGKSA-N
XLogP2.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009300
(1-phenylpiperidin-3-yl)urea
CID 121416777
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660886

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 95155812) is N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide is O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCCC1.
What is the InChIKey of N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is CRMWBDUUWSYDAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(17-9-4-5-10-17)16-13-8-11-18(12-13)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide?
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95155812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).