4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide

C16H26N4O — CID 63357311

IUPAC4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
SMILESCCN1CCC(CNc2cc(C(=O)NC)ccc2N)CC1
InChIInChI=1S/C16H26N4O/c1-3-20-8-6-12(7-9-20)11-19-15-10-13(16(21)18-2)4-5-14(15)17/h4-5,10,12,19H,3,6-9,11,17H2,1-2H3,(H,18,21)
InChIKeyKFVUOVOAMQSSIZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.77
Rot. Bonds5

About 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide

4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide (PubChem CID 63357311) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
PubChem CID63357311
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
SMILESCCN1CCC(CNc2cc(C(=O)NC)ccc2N)CC1
InChIInChI=1S/C16H26N4O/c1-3-20-8-6-12(7-9-20)11-19-15-10-13(16(21)18-2)4-5-14(15)17/h4-5,10,12,19H,3,6-9,11,17H2,1-2H3,(H,18,21)
InChIKeyKFVUOVOAMQSSIZ-UHFFFAOYSA-N
XLogP1.77
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide
CID 63357141
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945
4-amino-3-[(4-ethylcyclohexyl)methylamino]benzoic acid
CID 82784863
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
2-[(2-amino-5-methoxycarbonylanilino)methyl]azetidine-1-carboxylic acid
CID 175243107

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide (CID 63357311) is 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide is CCN1CCC(CNc2cc(C(=O)NC)ccc2N)CC1.
What is the InChIKey of 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide?
The InChIKey is KFVUOVOAMQSSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20-8-6-12(7-9-20)11-19-15-10-13(16(21)18-2)4-5-14(15)17/h4-5,10,12,19H,3,6-9,11,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide?
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 63357311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).