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

C23H35N5O3 — CID 92900292

IUPAC(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C23H35N5O3/c1-2-14-24-22(30)26-19-10-12-20(13-11-19)27-23(31)28-15-6-7-17(16-28)21(29)25-18-8-4-3-5-9-18/h10-13,17-18H,2-9,14-16H2,1H3,(H,25,29)(H,27,31)(H2,24,26,30)/t17-/m1/s1
InChIKeyZBHGRBPZLCTSLR-QGZVFWFLSA-N
MW429.57 g/mol
LogP3.91
Rot. Bonds6

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

(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 92900292) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
PubChem CID92900292
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C23H35N5O3/c1-2-14-24-22(30)26-19-10-12-20(13-11-19)27-23(31)28-15-6-7-17(16-28)21(29)25-18-8-4-3-5-9-18/h10-13,17-18H,2-9,14-16H2,1H3,(H,25,29)(H,27,31)(H2,24,26,30)/t17-/m1/s1
InChIKeyZBHGRBPZLCTSLR-QGZVFWFLSA-N
XLogP3.91
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116293
(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116187
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
(3S)-3-N-[[(2S)-oxolan-2-yl]methyl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900237
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845870
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
(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86904322
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (CID 92900292) is (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1.
What is the InChIKey of (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is ZBHGRBPZLCTSLR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-2-14-24-22(30)26-19-10-12-20(13-11-19)27-23(31)28-15-6-7-17(16-28)21(29)25-18-8-4-3-5-9-18/h10-13,17-18H,2-9,14-16H2,1H3,(H,25,29)(H,27,31)(H2,24,26,30)/t17-/m1/s1.
What are the key properties of (3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.91, 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-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 92900292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).