N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide

C20H31N3O — CID 122152760

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
SMILESCN(CCN(C)C1CC1)C(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H31N3O/c1-21(19-9-10-19)13-14-22(2)20(24)18-8-6-7-17(15-18)16-23-11-4-3-5-12-23/h6-8,15,19H,3-5,9-14,16H2,1-2H3
InChIKeyFECITWNTLLMPIJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide (PubChem CID 122152760) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
PubChem CID122152760
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
SMILESCN(CCN(C)C1CC1)C(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H31N3O/c1-21(19-9-10-19)13-14-22(2)20(24)18-8-6-7-17(15-18)16-23-11-4-3-5-12-23/h6-8,15,19H,3-5,9-14,16H2,1-2H3
InChIKeyFECITWNTLLMPIJ-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 70712928
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 110901980
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 171674684
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide
CID 91322048
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide (CID 122152760) is N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide is CN(CCN(C)C1CC1)C(=O)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide?
The InChIKey is FECITWNTLLMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21(19-9-10-19)13-14-22(2)20(24)18-8-6-7-17(15-18)16-23-11-4-3-5-12-23/h6-8,15,19H,3-5,9-14,16H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide has a molecular weight of 329.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 122152760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).