4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

C19H29N3O2 — CID 119289463

IUPAC4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-15(4-2)19(24)22-11-9-17(10-12-22)21-18(23)16-7-5-14(13-20)6-8-16/h5-8,15,17H,3-4,9-13,20H2,1-2H3,(H,21,23)
InChIKeyWZPLNTZOIFQWMN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.30
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 119289463) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
PubChem CID119289463
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-15(4-2)19(24)22-11-9-17(10-12-22)21-18(23)16-7-5-14(13-20)6-8-16/h5-8,15,17H,3-4,9-13,20H2,1-2H3,(H,21,23)
InChIKeyWZPLNTZOIFQWMN-UHFFFAOYSA-N
XLogP2.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180912
2-tert-butyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108551790
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 87047357
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
CID 70653799
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950765
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (CID 119289463) is 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is WZPLNTZOIFQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-15(4-2)19(24)22-11-9-17(10-12-22)21-18(23)16-7-5-14(13-20)6-8-16/h5-8,15,17H,3-4,9-13,20H2,1-2H3,(H,21,23).
What are the key properties of 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 119289463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).