2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide

C21H32N3O2+ — CID 7411850

IUPAC2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C21H31N3O2/c1-16-7-3-4-9-19(16)21(26)22-18-10-13-23(14-11-18)15-20(25)24-12-6-5-8-17(24)2/h3-4,7,9,17-18H,5-6,8,10-15H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1
InChIKeyHOQIRMXYPGFRRM-KRWDZBQOSA-O
MW358.51 g/mol
LogP1.17
Rot. Bonds4

About 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide

2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide (PubChem CID 7411850) has the molecular formula C21H32N3O2+ and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide
PubChem CID7411850
Molecular FormulaC21H32N3O2+
Molecular Weight358.51 g/mol
Exact Mass358.25
IUPAC Name2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1
InChIInChI=1S/C21H31N3O2/c1-16-7-3-4-9-19(16)21(26)22-18-10-13-23(14-11-18)15-20(25)24-12-6-5-8-17(24)2/h3-4,7,9,17-18H,5-6,8,10-15H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1
InChIKeyHOQIRMXYPGFRRM-KRWDZBQOSA-O
XLogP1.17
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55563545
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 7417555
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
CID 7411643
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
CID 7411893
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide (CID 7411850) is 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide is Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide?
The InChIKey is HOQIRMXYPGFRRM-KRWDZBQOSA-O. The full InChI is InChI=1S/C21H31N3O2/c1-16-7-3-4-9-19(16)21(26)22-18-10-13-23(14-11-18)15-20(25)24-12-6-5-8-17(24)2/h3-4,7,9,17-18H,5-6,8,10-15H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1.
What are the key properties of 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide?
2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide has a molecular weight of 358.51 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide is sourced from PubChem (CID 7411850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).