N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide

C19H29N3O3 — CID 119467614

IUPACN-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCCCC1CN
InChIInChI=1S/C19H29N3O3/c1-2-25-17-10-4-3-9-16(17)19(24)21-12-7-11-18(23)22-13-6-5-8-15(22)14-20/h3-4,9-10,15H,2,5-8,11-14,20H2,1H3,(H,21,24)
InChIKeyXXBGBOZNSHQJEP-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.94
Rot. Bonds8

About N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 119467614) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID119467614
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N1CCCCC1CN
InChIInChI=1S/C19H29N3O3/c1-2-25-17-10-4-3-9-16(17)19(24)21-12-7-11-18(23)22-13-6-5-8-15(22)14-20/h3-4,9-10,15H,2,5-8,11-14,20H2,1H3,(H,21,24)
InChIKeyXXBGBOZNSHQJEP-UHFFFAOYSA-N
XLogP1.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119467613
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 119566320
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide (CID 119467614) is N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)N1CCCCC1CN.
What is the InChIKey of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is XXBGBOZNSHQJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-25-17-10-4-3-9-16(17)19(24)21-12-7-11-18(23)22-13-6-5-8-15(22)14-20/h3-4,9-10,15H,2,5-8,11-14,20H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 347.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 119467614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).