1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

C24H31N5O3 — CID 56509542

IUPAC1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)cc1
InChIInChI=1S/C24H31N5O3/c1-16(2)26-24(32)28-21-11-7-18(8-12-21)23(31)27-20-9-5-17(6-10-20)14-29-13-3-4-19(15-29)22(25)30/h5-12,16,19H,3-4,13-15H2,1-2H3,(H2,25,30)(H,27,31)(H2,26,28,32)
InChIKeyOPMPLGSVCHCFFE-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.17
Rot. Bonds7

About 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56509542) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56509542
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)cc1
InChIInChI=1S/C24H31N5O3/c1-16(2)26-24(32)28-21-11-7-18(8-12-21)23(31)27-20-9-5-17(6-10-20)14-29-13-3-4-19(15-29)22(25)30/h5-12,16,19H,3-4,13-15H2,1-2H3,(H2,25,30)(H,27,31)(H2,26,28,32)
InChIKeyOPMPLGSVCHCFFE-UHFFFAOYSA-N
XLogP3.17
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506880
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 56508501
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 56509542) is 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide is CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)cc1.
What is the InChIKey of 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OPMPLGSVCHCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(2)26-24(32)28-21-11-7-18(8-12-21)23(31)27-20-9-5-17(6-10-20)14-29-13-3-4-19(15-29)22(25)30/h5-12,16,19H,3-4,13-15H2,1-2H3,(H2,25,30)(H,27,31)(H2,26,28,32).
What are the key properties of 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56509542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).