1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea

C16H21N3O2 — CID 110874685

IUPAC1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H21N3O2/c20-15(13-6-7-13)19-9-8-14(11-19)18-16(21)17-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H2,17,18,21)
InChIKeyJKMLCTRSUWCZKL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.50
Rot. Bonds4

About 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea

1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea (PubChem CID 110874685) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
PubChem CID110874685
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H21N3O2/c20-15(13-6-7-13)19-9-8-14(11-19)18-16(21)17-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H2,17,18,21)
InChIKeyJKMLCTRSUWCZKL-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
4-[[(1-propanoylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122006815
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 76614972
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea (CID 110874685) is 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea is O=C(NCc1ccccc1)NC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
The InChIKey is JKMLCTRSUWCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(13-6-7-13)19-9-8-14(11-19)18-16(21)17-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H2,17,18,21).
What are the key properties of 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea has a molecular weight of 287.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 110874685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).