3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide

C15H23N3O — CID 119850953

IUPAC3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCCCN1CCNC(=O)c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-12-5-2-3-9-18(12)10-8-17-15(19)13-6-4-7-14(16)11-13/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3,(H,17,19)
InChIKeyKMQCKHRJFIJZSR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide

3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 119850953) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID119850953
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCCCN1CCNC(=O)c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-12-5-2-3-9-18(12)10-8-17-15(19)13-6-4-7-14(16)11-13/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3,(H,17,19)
InChIKeyKMQCKHRJFIJZSR-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 82071339
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
CID 22588120

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide (CID 119850953) is 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide is CC1CCCCN1CCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is KMQCKHRJFIJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-2-3-9-18(12)10-8-17-15(19)13-6-4-7-14(16)11-13/h4,6-7,11-12H,2-3,5,8-10,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 119850953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).