1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea

C25H33N3O2 — CID 134802563

IUPAC1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
SMILESCOc1cccc(-c2ccc(CN3CCCC(NC(=O)NC4CCCC4)C3)cc2)c1
InChIInChI=1S/C25H33N3O2/c1-30-24-10-4-6-21(16-24)20-13-11-19(12-14-20)17-28-15-5-9-23(18-28)27-25(29)26-22-7-2-3-8-22/h4,6,10-14,16,22-23H,2-3,5,7-9,15,17-18H2,1H3,(H2,26,27,29)
InChIKeyXMNJMTUZBHCIPN-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.57
Rot. Bonds6

About 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea

1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea (PubChem CID 134802563) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
PubChem CID134802563
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
SMILESCOc1cccc(-c2ccc(CN3CCCC(NC(=O)NC4CCCC4)C3)cc2)c1
InChIInChI=1S/C25H33N3O2/c1-30-24-10-4-6-21(16-24)20-13-11-19(12-14-20)17-28-15-5-9-23(18-28)27-25(29)26-22-7-2-3-8-22/h4,6,10-14,16,22-23H,2-3,5,7-9,15,17-18H2,1H3,(H2,26,27,29)
InChIKeyXMNJMTUZBHCIPN-UHFFFAOYSA-N
XLogP4.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea with MolForge

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Related Compounds

2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
CID 134799472
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
CID 134801546
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea (CID 134802563) is 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea is COc1cccc(-c2ccc(CN3CCCC(NC(=O)NC4CCCC4)C3)cc2)c1.
What is the InChIKey of 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea?
The InChIKey is XMNJMTUZBHCIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-24-10-4-6-21(16-24)20-13-11-19(12-14-20)17-28-15-5-9-23(18-28)27-25(29)26-22-7-2-3-8-22/h4,6,10-14,16,22-23H,2-3,5,7-9,15,17-18H2,1H3,(H2,26,27,29).
What are the key properties of 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea?
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea has a molecular weight of 407.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea is sourced from PubChem (CID 134802563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).