1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

C17H31N3O2 — CID 38156413

IUPAC1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)NC1CCCC1
InChIInChI=1S/C17H31N3O2/c21-16(19-15-6-2-3-7-15)18-14-17(8-4-1-5-9-17)20-10-12-22-13-11-20/h15H,1-14H2,(H2,18,19,21)
InChIKeyJJEWRNSYPJXZDA-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.26
Rot. Bonds4

About 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea (PubChem CID 38156413) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
PubChem CID38156413
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)NC1CCCC1
InChIInChI=1S/C17H31N3O2/c21-16(19-15-6-2-3-7-15)18-14-17(8-4-1-5-9-17)20-10-12-22-13-11-20/h15H,1-14H2,(H2,18,19,21)
InChIKeyJJEWRNSYPJXZDA-UHFFFAOYSA-N
XLogP2.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 122139787
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
1-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 128664305
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119268173
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111140323

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea (CID 38156413) is 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea is O=C(NCC1(N2CCOCC2)CCCCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
The InChIKey is JJEWRNSYPJXZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-16(19-15-6-2-3-7-15)18-14-17(8-4-1-5-9-17)20-10-12-22-13-11-20/h15H,1-14H2,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea?
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea has a molecular weight of 309.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 38156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).