4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide

C15H24N4O2 — CID 156882442

IUPAC4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(CCN)CC2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-21-14-10-11(2-3-13(14)17)15(20)18-12-4-7-19(8-5-12)9-6-16/h2-3,10,12H,4-9,16-17H2,1H3,(H,18,20)
InChIKeyIDPMZYJZMABERS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.43
Rot. Bonds5

About 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide

4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 156882442) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID156882442
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(CCN)CC2)ccc1N
InChIInChI=1S/C15H24N4O2/c1-21-14-10-11(2-3-13(14)17)15(20)18-12-4-7-19(8-5-12)9-6-16/h2-3,10,12H,4-9,16-17H2,1H3,(H,18,20)
InChIKeyIDPMZYJZMABERS-UHFFFAOYSA-N
XLogP0.43
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
cyclopentyl 2-amino-4-[3-[(4-amino-3-methoxybenzoyl)amino]pyrrolidin-1-yl]butanoate
CID 77400335
N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732271
4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
CID 143522216
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 107702105
2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol
CID 143660460
tert-butyl N-[2-[4-[(4-amino-3-methoxybenzoyl)amino]piperidin-1-yl]ethyl]-N-(3-pent-4-ynoxypropyl)carbamate
CID 156882494
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide (CID 156882442) is 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide is COc1cc(C(=O)NC2CCN(CCN)CC2)ccc1N.
What is the InChIKey of 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is IDPMZYJZMABERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-14-10-11(2-3-13(14)17)15(20)18-12-4-7-19(8-5-12)9-6-16/h2-3,10,12H,4-9,16-17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide?
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 156882442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).