N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C20H29N3O2 — CID 94184057

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESCCN1CCC(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-3-23-9-7-15(8-10-23)13-21-19(24)16-5-4-6-17(12-16)22-20(25)18-11-14(18)2/h4-6,12,14-15,18H,3,7-11,13H2,1-2H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1
InChIKeyMLLIAENYRDTSNP-KSSFIOAISA-N
MW343.47 g/mol
LogP2.74
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 94184057) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID94184057
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESCCN1CCC(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-3-23-9-7-15(8-10-23)13-21-19(24)16-5-4-6-17(12-16)22-20(25)18-11-14(18)2/h4-6,12,14-15,18H,3,7-11,13H2,1-2H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1
InChIKeyMLLIAENYRDTSNP-KSSFIOAISA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide with MolForge

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Related Compounds

3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 94184057) is N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is CCN1CCC(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is MLLIAENYRDTSNP-KSSFIOAISA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-23-9-7-15(8-10-23)13-21-19(24)16-5-4-6-17(12-16)22-20(25)18-11-14(18)2/h4-6,12,14-15,18H,3,7-11,13H2,1-2H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 94184057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).