(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

C24H37N5O3 — CID 95116293

IUPAC(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C24H37N5O3/c1-17(2)15-25-23(31)27-20-10-12-21(13-11-20)28-24(32)29-14-6-7-18(16-29)22(30)26-19-8-4-3-5-9-19/h10-13,17-19H,3-9,14-16H2,1-2H3,(H,26,30)(H,28,32)(H2,25,27,31)/t18-/m1/s1
InChIKeyKINJCKWLPJMKEQ-GOSISDBHSA-N
MW443.59 g/mol
LogP4.16
Rot. Bonds6

About (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 95116293) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
PubChem CID95116293
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C24H37N5O3/c1-17(2)15-25-23(31)27-20-10-12-21(13-11-20)28-24(32)29-14-6-7-18(16-29)22(30)26-19-8-4-3-5-9-19/h10-13,17-19H,3-9,14-16H2,1-2H3,(H,26,30)(H,28,32)(H2,25,27,31)/t18-/m1/s1
InChIKeyKINJCKWLPJMKEQ-GOSISDBHSA-N
XLogP4.16
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116187
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 95116259
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076775
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (CID 95116293) is (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is CC(C)CNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1.
What is the InChIKey of (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is KINJCKWLPJMKEQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-17(2)15-25-23(31)27-20-10-12-21(13-11-20)28-24(32)29-14-6-7-18(16-29)22(30)26-19-8-4-3-5-9-19/h10-13,17-19H,3-9,14-16H2,1-2H3,(H,26,30)(H,28,32)(H2,25,27,31)/t18-/m1/s1.
What are the key properties of (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.16, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95116293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).