N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C21H29N3O2 — CID 47881551

IUPACN-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H29N3O2/c25-20(15-16-5-2-1-3-6-16)24-12-4-7-19(24)21(26)22-17-10-13-23(14-11-17)18-8-9-18/h1-3,5-6,17-19H,4,7-15H2,(H,22,26)
InChIKeyQGVSBTWBSKMPHF-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.96
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 47881551) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID47881551
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H29N3O2/c25-20(15-16-5-2-1-3-6-16)24-12-4-7-19(24)21(26)22-17-10-13-23(14-11-17)18-8-9-18/h1-3,5-6,17-19H,4,7-15H2,(H,22,26)
InChIKeyQGVSBTWBSKMPHF-UHFFFAOYSA-N
XLogP1.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
methyl 4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 47897958
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
N-cyclopropyl-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 86924365
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 47881551) is N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=C(NC1CCN(C2CC2)CC1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is QGVSBTWBSKMPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(15-16-5-2-1-3-6-16)24-12-4-7-19(24)21(26)22-17-10-13-23(14-11-17)18-8-9-18/h1-3,5-6,17-19H,4,7-15H2,(H,22,26).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47881551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).