[1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C32H39N5O4 — CID 66755710

IUPAC[1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(Cc1ccc(CCC(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)C(N)=O
InChIInChI=1S/C32H39N5O4/c1-36(31(33)39)23-25-13-11-24(12-14-25)15-16-30(38)34-19-22-37-20-17-27(18-21-37)41-32(40)35-29-10-6-5-9-28(29)26-7-3-2-4-8-26/h2-14,27H,15-23H2,1H3,(H2,33,39)(H,34,38)(H,35,40)
InChIKeyNENQZSKXKOKNQP-UHFFFAOYSA-N
MW557.70 g/mol
LogP4.63
Rot. Bonds11

About [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 66755710) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID66755710
Molecular FormulaC32H39N5O4
Molecular Weight557.70 g/mol
Exact Mass557.30
IUPAC Name[1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(Cc1ccc(CCC(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)C(N)=O
InChIInChI=1S/C32H39N5O4/c1-36(31(33)39)23-25-13-11-24(12-14-25)15-16-30(38)34-19-22-37-20-17-27(18-21-37)41-32(40)35-29-10-6-5-9-28(29)26-7-3-2-4-8-26/h2-14,27H,15-23H2,1H3,(H2,33,39)(H,34,38)(H,35,40)
InChIKeyNENQZSKXKOKNQP-UHFFFAOYSA-N
XLogP4.63
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-[3-[4-(piperidin-1-ylmethyl)phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853753
benzyl N-methyl-N-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamate
CID 58058123
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[3-[5-[4-[(2-amino-2-oxoethyl)-methylamino]butanoyl-[(4-hydroxyphenyl)methyl]amino]pentylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11456806
[1-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984903
[1-[3-(4-ethyl-N-methylanilino)-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 126602539
4-[[[4-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 66671694
[1-[2-[[4-[[bis(2-ethoxyethyl)amino]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15985016
[1-[3-[5-[(4-hydroxyphenyl)methyl-(3-pyrrolidin-1-ylpropanoyl)amino]pentylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11433912
[1-[2-[[4-[(cyclopropanecarbonylamino)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984840
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 66755710) is [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(Cc1ccc(CCC(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)C(N)=O.
What is the InChIKey of [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is NENQZSKXKOKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-36(31(33)39)23-25-13-11-24(12-14-25)15-16-30(38)34-19-22-37-20-17-27(18-21-37)41-32(40)35-29-10-6-5-9-28(29)26-7-3-2-4-8-26/h2-14,27H,15-23H2,1H3,(H2,33,39)(H,34,38)(H,35,40).
What are the key properties of [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 557.70 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-[4-[[carbamoyl(methyl)amino]methyl]phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66755710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).