N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide

C18H28N4O3 — CID 119916676

IUPACN-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)CN2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C18H28N4O3/c1-25-16-6-2-4-14(10-16)11-21-17(23)13-22-9-3-5-15(12-22)18(24)20-8-7-19/h2,4,6,10,15H,3,5,7-9,11-13,19H2,1H3,(H,20,24)(H,21,23)
InChIKeyGNLXXHVNMFUUEQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.10
Rot. Bonds8

About N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 119916676) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID119916676
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)CN2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C18H28N4O3/c1-25-16-6-2-4-14(10-16)11-21-17(23)13-22-9-3-5-15(12-22)18(24)20-8-7-19/h2,4,6,10,15H,3,5,7-9,11-13,19H2,1H3,(H,20,24)(H,21,23)
InChIKeyGNLXXHVNMFUUEQ-UHFFFAOYSA-N
XLogP0.10
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 87015216
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 119916676) is N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide is COc1cccc(CNC(=O)CN2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is GNLXXHVNMFUUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-16-6-2-4-14(10-16)11-21-17(23)13-22-9-3-5-15(12-22)18(24)20-8-7-19/h2,4,6,10,15H,3,5,7-9,11-13,19H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).