N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride

C19H30ClN3O4 — CID 119479381

IUPACN-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCCC(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-25-16-6-8-17(9-7-16)26-13-3-5-18(23)22-12-2-4-15(14-22)19(24)21-11-10-20;/h6-9,15H,2-5,10-14,20H2,1H3,(H,21,24);1H
InChIKeyJVGQXENZYZSCOK-UHFFFAOYSA-N
MW399.92 g/mol
LogP1.59
Rot. Bonds9

About N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119479381) has the molecular formula C19H30ClN3O4 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119479381
Molecular FormulaC19H30ClN3O4
Molecular Weight399.92 g/mol
Exact Mass399.19
IUPAC NameN-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCCC(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl
InChIInChI=1S/C19H29N3O4.ClH/c1-25-16-6-8-17(9-7-16)26-13-3-5-18(23)22-12-2-4-15(14-22)19(24)21-11-10-20;/h6-9,15H,2-5,10-14,20H2,1H3,(H,21,24);1H
InChIKeyJVGQXENZYZSCOK-UHFFFAOYSA-N
XLogP1.59
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 119482116
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394
N-(2-aminoethyl)-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481359
N-(2-aminoethyl)-1-[3-(2-fluorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480114
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride (CID 119479381) is N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride is COc1ccc(OCCCC(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JVGQXENZYZSCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4.ClH/c1-25-16-6-8-17(9-7-16)26-13-3-5-18(23)22-12-2-4-15(14-22)19(24)21-11-10-20;/h6-9,15H,2-5,10-14,20H2,1H3,(H,21,24);1H.
What are the key properties of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).