1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea

C21H32FN3O2 — CID 51127813

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(F)cc1C(C)NC(=O)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H32FN3O2/c1-15(19-13-17(22)7-8-20(19)27-2)23-21(26)24-18-9-11-25(12-10-18)14-16-5-3-4-6-16/h7-8,13,15-16,18H,3-6,9-12,14H2,1-2H3,(H2,23,24,26)
InChIKeyIUYFGZMLLXWERW-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.85
Rot. Bonds6

About 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea (PubChem CID 51127813) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
PubChem CID51127813
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(F)cc1C(C)NC(=O)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C21H32FN3O2/c1-15(19-13-17(22)7-8-20(19)27-2)23-21(26)24-18-9-11-25(12-10-18)14-16-5-3-4-6-16/h7-8,13,15-16,18H,3-6,9-12,14H2,1-2H3,(H2,23,24,26)
InChIKeyIUYFGZMLLXWERW-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide
CID 136531851
1-cyclopropyl-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]thiourea
CID 75415350
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-[1-(4,8-dimethoxynaphthalen-1-yl)ethyl]-3-(1-ethylpiperidin-4-yl)urea
CID 126736383
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78897328
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729459
(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436374
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea (CID 51127813) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea is COc1ccc(F)cc1C(C)NC(=O)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea?
The InChIKey is IUYFGZMLLXWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-15(19-13-17(22)7-8-20(19)27-2)23-21(26)24-18-9-11-25(12-10-18)14-16-5-3-4-6-16/h7-8,13,15-16,18H,3-6,9-12,14H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea has a molecular weight of 377.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 51127813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).