N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide

C17H27N3O — CID 63108415

IUPACN-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC1CCCN(C)C1
InChIInChI=1S/C17H27N3O/c1-13(2)19-16-9-5-4-8-15(16)17(21)18-11-14-7-6-10-20(3)12-14/h4-5,8-9,13-14,19H,6-7,10-12H2,1-3H3,(H,18,21)
InChIKeyDRNDDOAIUXKRPZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.58
Rot. Bonds5

About N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide

N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide (PubChem CID 63108415) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
PubChem CID63108415
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC1CCCN(C)C1
InChIInChI=1S/C17H27N3O/c1-13(2)19-16-9-5-4-8-15(16)17(21)18-11-14-7-6-10-20(3)12-14/h4-5,8-9,13-14,19H,6-7,10-12H2,1-3H3,(H,18,21)
InChIKeyDRNDDOAIUXKRPZ-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612321
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
N-(cyclopropylmethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 55177665

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide (CID 63108415) is N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NCC1CCCN(C)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is DRNDDOAIUXKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)19-16-9-5-4-8-15(16)17(21)18-11-14-7-6-10-20(3)12-14/h4-5,8-9,13-14,19H,6-7,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide?
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63108415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).