1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea

C20H25N5O2 — CID 125166653

IUPAC1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
SMILESCc1nccn1-c1ccc(NC(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1
InChIInChI=1S/C20H25N5O2/c1-14-21-10-12-25(14)18-8-6-16(7-9-18)22-20(27)23-17-3-2-11-24(13-17)19(26)15-4-5-15/h6-10,12,15,17H,2-5,11,13H2,1H3,(H2,22,23,27)/t17-/m1/s1
InChIKeyJDKAMOWZUJECIN-QGZVFWFLSA-N
MW367.45 g/mol
LogP2.70
Rot. Bonds4

About 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea

1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea (PubChem CID 125166653) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
PubChem CID125166653
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
SMILESCc1nccn1-c1ccc(NC(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1
InChIInChI=1S/C20H25N5O2/c1-14-21-10-12-25(14)18-8-6-16(7-9-18)22-20(27)23-17-3-2-11-24(13-17)19(26)15-4-5-15/h6-10,12,15,17H,2-5,11,13H2,1H3,(H2,22,23,27)/t17-/m1/s1
InChIKeyJDKAMOWZUJECIN-QGZVFWFLSA-N
XLogP2.70
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100640908
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 125161273
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
1-[4-(5-methyltetrazol-1-yl)phenyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 125161705
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 97453233
1-[1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 72912237

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea (CID 125166653) is 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea is Cc1nccn1-c1ccc(NC(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1.
What is the InChIKey of 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
The InChIKey is JDKAMOWZUJECIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-21-10-12-25(14)18-8-6-16(7-9-18)22-20(27)23-17-3-2-11-24(13-17)19(26)15-4-5-15/h6-10,12,15,17H,2-5,11,13H2,1H3,(H2,22,23,27)/t17-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea?
1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea has a molecular weight of 367.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 125166653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).