1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea

C17H23N3O3 — CID 51082716

IUPAC1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCC1
InChIInChI=1S/C17H23N3O3/c21-16(20-8-10-23-11-9-20)13-4-3-7-15(12-13)19-17(22)18-14-5-1-2-6-14/h3-4,7,12,14H,1-2,5-6,8-11H2,(H2,18,19,22)
InChIKeyPTGOGZZFIKYAOX-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds3

About 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea

1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 51082716) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID51082716
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCC1
InChIInChI=1S/C17H23N3O3/c21-16(20-8-10-23-11-9-20)13-4-3-7-15(12-13)19-17(22)18-14-5-1-2-6-14/h3-4,7,12,14H,1-2,5-6,8-11H2,(H2,18,19,22)
InChIKeyPTGOGZZFIKYAOX-UHFFFAOYSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 119283247
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
3-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712321

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea (CID 51082716) is 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is PTGOGZZFIKYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(20-8-10-23-11-9-20)13-4-3-7-15(12-13)19-17(22)18-14-5-1-2-6-14/h3-4,7,12,14H,1-2,5-6,8-11H2,(H2,18,19,22).
What are the key properties of 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 51082716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).