4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

C24H31N5O3 — CID 50845707

IUPAC4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N5O3/c1-17(2)16-25-22(30)18-12-14-29(15-13-18)24(32)28-21-10-8-20(9-11-21)27-23(31)26-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,30)(H,28,32)(H2,26,27,31)
InChIKeyUMKXCKUBBIRISI-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.35
Rot. Bonds6

About 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 50845707) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
PubChem CID50845707
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N5O3/c1-17(2)16-25-22(30)18-12-14-29(15-13-18)24(32)28-21-10-8-20(9-11-21)27-23(31)26-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,30)(H,28,32)(H2,26,27,31)
InChIKeyUMKXCKUBBIRISI-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9220209
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 4787425
(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 87034533
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
CID 78772201

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (CID 50845707) is 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is CC(C)CNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is UMKXCKUBBIRISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17(2)16-25-22(30)18-12-14-29(15-13-18)24(32)28-21-10-8-20(9-11-21)27-23(31)26-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,30)(H,28,32)(H2,26,27,31).
What are the key properties of 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 50845707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).