1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea

C15H21N3O2 — CID 53016498

IUPAC1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-11(2)16-15(20)17-13-8-9-18(10-13)14(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,17,20)
InChIKeyVFMRLKREFRLRAX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.61
Rot. Bonds3

About 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea

1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea (PubChem CID 53016498) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
PubChem CID53016498
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-11(2)16-15(20)17-13-8-9-18(10-13)14(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,17,20)
InChIKeyVFMRLKREFRLRAX-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 166315592
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-[(3S)-1-benzoylpiperidin-3-yl]-3-pyridin-2-ylurea
CID 95151252
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea (CID 53016498) is 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea?
The InChIKey is VFMRLKREFRLRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)16-15(20)17-13-8-9-18(10-13)14(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea?
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea has a molecular weight of 275.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea is sourced from PubChem (CID 53016498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).