(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide

C24H31N5O3 — CID 95116259

IUPAC(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)C1
InChIInChI=1S/C24H31N5O3/c1-3-17-7-9-19(10-8-17)26-23(31)27-20-11-13-21(14-12-20)28-24(32)29-15-5-6-18(16-29)22(30)25-4-2/h7-14,18H,3-6,15-16H2,1-2H3,(H,25,30)(H,28,32)(H2,26,27,31)/t18-/m1/s1
InChIKeyPKPHVJKGOYXZCQ-GOSISDBHSA-N
MW437.54 g/mol
LogP4.27
Rot. Bonds6

About (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide

(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide (PubChem CID 95116259) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
PubChem CID95116259
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)C1
InChIInChI=1S/C24H31N5O3/c1-3-17-7-9-19(10-8-17)26-23(31)27-20-11-13-21(14-12-20)28-24(32)29-15-5-6-18(16-29)22(30)25-4-2/h7-14,18H,3-6,15-16H2,1-2H3,(H,25,30)(H,28,32)(H2,26,27,31)/t18-/m1/s1
InChIKeyPKPHVJKGOYXZCQ-GOSISDBHSA-N
XLogP4.27
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 50845712
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116187
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide (CID 95116259) is (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide is CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(CC)cc3)cc2)C1.
What is the InChIKey of (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is PKPHVJKGOYXZCQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-3-17-7-9-19(10-8-17)26-23(31)27-20-11-13-21(14-12-20)28-24(32)29-15-5-6-18(16-29)22(30)25-4-2/h7-14,18H,3-6,15-16H2,1-2H3,(H,25,30)(H,28,32)(H2,26,27,31)/t18-/m1/s1.
What are the key properties of (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95116259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).