N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide

C26H31N3O3 — CID 55630713

IUPACN-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-19-10-11-22(18-23(19)27-24(30)20-8-4-2-5-9-20)26(32)29-16-12-21(13-17-29)25(31)28-14-6-3-7-15-28/h2,4-5,8-11,18,21H,3,6-7,12-17H2,1H3,(H,27,30)
InChIKeyQTWOURYKVYXDHG-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.11
Rot. Bonds4

About N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide

N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide (PubChem CID 55630713) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
PubChem CID55630713
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-19-10-11-22(18-23(19)27-24(30)20-8-4-2-5-9-20)26(32)29-16-12-21(13-17-29)25(31)28-14-6-3-7-15-28/h2,4-5,8-11,18,21H,3,6-7,12-17H2,1H3,(H,27,30)
InChIKeyQTWOURYKVYXDHG-UHFFFAOYSA-N
XLogP4.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-[2-methyl-5-(4-phenylazepane-1-carbonyl)phenyl]pyrimidine-5-carboxamide
CID 172664236
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide (CID 55630713) is N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide is Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is QTWOURYKVYXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19-10-11-22(18-23(19)27-24(30)20-8-4-2-5-9-20)26(32)29-16-12-21(13-17-29)25(31)28-14-6-3-7-15-28/h2,4-5,8-11,18,21H,3,6-7,12-17H2,1H3,(H,27,30).
What are the key properties of N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide?
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 55630713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).