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

C24H30ClN3O3 — CID 174451918

IUPAC[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
SMILESCC(C)C(NC(=O)[C@H](OC(=O)Nc1ccc(Cl)cc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C24H30ClN3O3/c1-16(2)21(17-12-14-26-15-13-17)28-23(29)22(18-6-4-3-5-7-18)31-24(30)27-20-10-8-19(25)9-11-20/h3-11,16-17,21-22,26H,12-15H2,1-2H3,(H,27,30)(H,28,29)/t21?,22-/m1/s1
InChIKeyWPRKBTKEAWWAAP-FOIFJWKZSA-N
MW443.98 g/mol
LogP4.77
Rot. Bonds7

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

[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate (PubChem CID 174451918) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
PubChem CID174451918
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
SMILESCC(C)C(NC(=O)[C@H](OC(=O)Nc1ccc(Cl)cc1)c1ccccc1)C1CCNCC1
InChIInChI=1S/C24H30ClN3O3/c1-16(2)21(17-12-14-26-15-13-17)28-23(29)22(18-6-4-3-5-7-18)31-24(30)27-20-10-8-19(25)9-11-20/h3-11,16-17,21-22,26H,12-15H2,1-2H3,(H,27,30)(H,28,29)/t21?,22-/m1/s1
InChIKeyWPRKBTKEAWWAAP-FOIFJWKZSA-N
XLogP4.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(1R)-2-[[cyclohexyl(piperidin-4-yl)methyl]amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate
CID 174464590
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
(2R)-N-(4-chlorophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132361
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate
CID 69313098
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887741
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821780
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
1-(2-fluorophenyl)-3-(1-piperidin-4-ylethyl)urea
CID 43523415

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate (CID 174451918) is [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate is CC(C)C(NC(=O)[C@H](OC(=O)Nc1ccc(Cl)cc1)c1ccccc1)C1CCNCC1.
What is the InChIKey of [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
The InChIKey is WPRKBTKEAWWAAP-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-16(2)21(17-12-14-26-15-13-17)28-23(29)22(18-6-4-3-5-7-18)31-24(30)27-20-10-8-19(25)9-11-20/h3-11,16-17,21-22,26H,12-15H2,1-2H3,(H,27,30)(H,28,29)/t21?,22-/m1/s1.
What are the key properties of [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate?
[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate has a molecular weight of 443.98 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-2-oxo-1-phenylethyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 174451918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).