3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

C15H23N3O — CID 61241803

IUPAC3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O/c1-12-5-8-18(9-6-12)10-7-17-15(19)13-3-2-4-14(16)11-13/h2-4,11-12H,5-10,16H2,1H3,(H,17,19)
InChIKeyOMMVPWYUSWHPAS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 61241803) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID61241803
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O/c1-12-5-8-18(9-6-12)10-7-17-15(19)13-3-2-4-14(16)11-13/h2-4,11-12H,5-10,16H2,1H3,(H,17,19)
InChIKeyOMMVPWYUSWHPAS-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764080
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (CID 61241803) is 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is CC1CCN(CCNC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is OMMVPWYUSWHPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-8-18(9-6-12)10-7-17-15(19)13-3-2-4-14(16)11-13/h2-4,11-12H,5-10,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.73, 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-(4-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 61241803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).