N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide

C17H25N3O — CID 62656504

IUPACN-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2cccc(C(=O)NC3CC3)c2)C1
InChIInChI=1S/C17H25N3O/c1-20-9-3-4-13(12-20)11-18-16-6-2-5-14(10-16)17(21)19-15-7-8-15/h2,5-6,10,13,15,18H,3-4,7-9,11-12H2,1H3,(H,19,21)
InChIKeyKOUODSUTBRGQRJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.33
Rot. Bonds5

About N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide

N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 62656504) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID62656504
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2cccc(C(=O)NC3CC3)c2)C1
InChIInChI=1S/C17H25N3O/c1-20-9-3-4-13(12-20)11-18-16-6-2-5-14(10-16)17(21)19-15-7-8-15/h2,5-6,10,13,15,18H,3-4,7-9,11-12H2,1H3,(H,19,21)
InChIKeyKOUODSUTBRGQRJ-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62654182
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N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
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2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
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2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 62656504) is N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide is CN1CCCC(CNc2cccc(C(=O)NC3CC3)c2)C1.
What is the InChIKey of N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is KOUODSUTBRGQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-9-3-4-13(12-20)11-18-16-6-2-5-14(10-16)17(21)19-15-7-8-15/h2,5-6,10,13,15,18H,3-4,7-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide?
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 287.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 62656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).