1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea

C20H28ClN3O — CID 1461552

IUPAC1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)N2C1CCCC1
InChIInChI=1S/C20H28ClN3O/c21-14-5-3-6-15(11-14)22-20(25)23-16-12-18-9-4-10-19(13-16)24(18)17-7-1-2-8-17/h3,5-6,11,16-19H,1-2,4,7-10,12-13H2,(H2,22,23,25)/t16?,18-,19+
InChIKeyUIEFKNAMTXQZBL-JLYLLQBASA-N
MW361.92 g/mol
LogP4.79
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea

1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea (PubChem CID 1461552) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
PubChem CID1461552
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)N2C1CCCC1
InChIInChI=1S/C20H28ClN3O/c21-14-5-3-6-15(11-14)22-20(25)23-16-12-18-9-4-10-19(13-16)24(18)17-7-1-2-8-17/h3,5-6,11,16-19H,1-2,4,7-10,12-13H2,(H2,22,23,25)/t16?,18-,19+
InChIKeyUIEFKNAMTXQZBL-JLYLLQBASA-N
XLogP4.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461586
1-(3-chlorophenyl)-3-(9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 3218031
1-[(1R,5R)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1461622
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
1-(3-chlorophenyl)-3-[(1R,5S)-8-cyclopentyl-8-azoniabicyclo[3.2.1]octan-3-yl]urea
CID 7399714
1-(3-chlorophenyl)-3-[(1R,5S)-9-prop-2-enyl-9-azoniabicyclo[3.3.1]nonan-3-yl]urea
CID 11902311
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-(9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)urea
CID 3217212
1-(8-cyclopentyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 5158438
1-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 1461544
1-[(1R,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 1460667
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea (CID 1461552) is 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea is O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)N2C1CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
The InChIKey is UIEFKNAMTXQZBL-JLYLLQBASA-N. The full InChI is InChI=1S/C20H28ClN3O/c21-14-5-3-6-15(11-14)22-20(25)23-16-12-18-9-4-10-19(13-16)24(18)17-7-1-2-8-17/h3,5-6,11,16-19H,1-2,4,7-10,12-13H2,(H2,22,23,25)/t16?,18-,19+.
What are the key properties of 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea?
1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea has a molecular weight of 361.92 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea is sourced from PubChem (CID 1461552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).