N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide

C20H31N3O4 — CID 119480066

IUPACN-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C(=O)N2CCCC(C(=O)NCCN)C2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-20(2,15-7-8-16(26-3)17(12-15)27-4)19(25)23-11-5-6-14(13-23)18(24)22-10-9-21/h7-8,12,14H,5-6,9-11,13,21H2,1-4H3,(H,22,24)
InChIKeyIRWVWVIPLMLHAO-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.29
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide (PubChem CID 119480066) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
PubChem CID119480066
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C(=O)N2CCCC(C(=O)NCCN)C2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-20(2,15-7-8-16(26-3)17(12-15)27-4)19(25)23-11-5-6-14(13-23)18(24)22-10-9-21/h7-8,12,14H,5-6,9-11,13,21H2,1-4H3,(H,22,24)
InChIKeyIRWVWVIPLMLHAO-UHFFFAOYSA-N
XLogP1.29
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480744
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-2-methylpropan-1-one;hydrochloride
CID 119593723
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480672
N-(2-aminoethyl)-1-(4-bromo-2-methoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480740
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide (CID 119480066) is N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide is COc1ccc(C(C)(C)C(=O)N2CCCC(C(=O)NCCN)C2)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
The InChIKey is IRWVWVIPLMLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-20(2,15-7-8-16(26-3)17(12-15)27-4)19(25)23-11-5-6-14(13-23)18(24)22-10-9-21/h7-8,12,14H,5-6,9-11,13,21H2,1-4H3,(H,22,24).
What are the key properties of N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).