[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate

C27H34ClN3O3 — CID 174464590

IUPAC[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)NC(C1CCCCC1)C1CCNCC1)c1ccccc1
InChIInChI=1S/C27H34ClN3O3/c28-22-11-13-23(14-12-22)30-27(33)34-25(21-9-5-2-6-10-21)26(32)31-24(19-7-3-1-4-8-19)20-15-17-29-18-16-20/h2,5-6,9-14,19-20,24-25,29H,1,3-4,7-8,15-18H2,(H,30,33)(H,31,32)/t24?,25-/m1/s1
InChIKeyRQURGSIVYMXVDZ-WUBHUQEYSA-N
MW484.04 g/mol
LogP5.69
Rot. Bonds7

About [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate

[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate (PubChem CID 174464590) has the molecular formula C27H34ClN3O3 and a molecular weight of 484.04 g/mol. Its IUPAC name is [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
PubChem CID174464590
Molecular FormulaC27H34ClN3O3
Molecular Weight484.04 g/mol
Exact Mass483.23
IUPAC Name[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)NC(C1CCCCC1)C1CCNCC1)c1ccccc1
InChIInChI=1S/C27H34ClN3O3/c28-22-11-13-23(14-12-22)30-27(33)34-25(21-9-5-2-6-10-21)26(32)31-24(19-7-3-1-4-8-19)20-15-17-29-18-16-20/h2,5-6,9-14,19-20,24-25,29H,1,3-4,7-8,15-18H2,(H,30,33)(H,31,32)/t24?,25-/m1/s1
InChIKeyRQURGSIVYMXVDZ-WUBHUQEYSA-N
XLogP5.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.04
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate with MolForge

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Related Compounds

[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
CID 174451918
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl] N-(4-chlorophenyl)carbamate;2,2,2-trifluoroacetic acid
CID 11353939
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] cyclohexanecarboxylate
CID 3428865
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-[(4-chlorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075783
(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate
CID 10544928

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate (CID 174464590) is [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)NC(C1CCCCC1)C1CCNCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
The InChIKey is RQURGSIVYMXVDZ-WUBHUQEYSA-N. The full InChI is InChI=1S/C27H34ClN3O3/c28-22-11-13-23(14-12-22)30-27(33)34-25(21-9-5-2-6-10-21)26(32)31-24(19-7-3-1-4-8-19)20-15-17-29-18-16-20/h2,5-6,9-14,19-20,24-25,29H,1,3-4,7-8,15-18H2,(H,30,33)(H,31,32)/t24?,25-/m1/s1.
What are the key properties of [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate has a molecular weight of 484.04 g/mol, XLogP of 5.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 174464590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).