1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea

C23H30N4O2 — CID 126835808

IUPAC1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea
SMILESO=C(NCCc1ccnc2ccccc12)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H30N4O2/c28-22(27-14-4-1-5-15-27)18-8-9-19(16-18)26-23(29)25-13-11-17-10-12-24-21-7-3-2-6-20(17)21/h2-3,6-7,10,12,18-19H,1,4-5,8-9,11,13-16H2,(H2,25,26,29)/t18-,19+/m1/s1
InChIKeyZOYKNCKKBMABCD-MOPGFXCFSA-N
MW394.52 g/mol
LogP3.26
Rot. Bonds5

About 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea

1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea (PubChem CID 126835808) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea
PubChem CID126835808
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea
SMILESO=C(NCCc1ccnc2ccccc12)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H30N4O2/c28-22(27-14-4-1-5-15-27)18-8-9-19(16-18)26-23(29)25-13-11-17-10-12-24-21-7-3-2-6-20(17)21/h2-3,6-7,10,12,18-19H,1,4-5,8-9,11,13-16H2,(H2,25,26,29)/t18-,19+/m1/s1
InChIKeyZOYKNCKKBMABCD-MOPGFXCFSA-N
XLogP3.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea?
The IUPAC name of 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea (CID 126835808) is 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea.
What is the SMILES notation for 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea?
The canonical SMILES for 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea is O=C(NCCc1ccnc2ccccc12)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea?
The InChIKey is ZOYKNCKKBMABCD-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22(27-14-4-1-5-15-27)18-8-9-19(16-18)26-23(29)25-13-11-17-10-12-24-21-7-3-2-6-20(17)21/h2-3,6-7,10,12,18-19H,1,4-5,8-9,11,13-16H2,(H2,25,26,29)/t18-,19+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea?
1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea has a molecular weight of 394.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]-3-(2-quinolin-4-ylethyl)urea is sourced from PubChem (CID 126835808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).