4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

C24H37N5O3 — CID 50845870

IUPAC4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C24H37N5O3/c1-2-3-15-25-22(30)18-13-16-29(17-14-18)24(32)28-21-11-9-20(10-12-21)27-23(31)26-19-7-5-4-6-8-19/h9-12,18-19H,2-8,13-17H2,1H3,(H,25,30)(H,28,32)(H2,26,27,31)
InChIKeyOEEFQWAMMMWEKU-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.30
Rot. Bonds7

About 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 50845870) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
PubChem CID50845870
Molecular FormulaC24H37N5O3
Molecular Weight443.59 g/mol
Exact Mass443.29
IUPAC Name4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C24H37N5O3/c1-2-3-15-25-22(30)18-13-16-29(17-14-18)24(32)28-21-11-9-20(10-12-21)27-23(31)26-19-7-5-4-6-8-19/h9-12,18-19H,2-8,13-17H2,1H3,(H,25,30)(H,28,32)(H2,26,27,31)
InChIKeyOEEFQWAMMMWEKU-UHFFFAOYSA-N
XLogP4.30
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 95116221
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86986547
4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 119049838
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (CID 50845870) is 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is CCCCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is OEEFQWAMMMWEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-2-3-15-25-22(30)18-13-16-29(17-14-18)24(32)28-21-11-9-20(10-12-21)27-23(31)26-19-7-5-4-6-8-19/h9-12,18-19H,2-8,13-17H2,1H3,(H,25,30)(H,28,32)(H2,26,27,31).
What are the key properties of 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.30, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 50845870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).