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

C19H29N3O4 — CID 119479382

IUPACN-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(OCCCC(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C19H29N3O4/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)
InChIKeyBNRZWKNIWIEWHK-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.17
Rot. Bonds9

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

N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide (PubChem CID 119479382) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
PubChem CID119479382
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(OCCCC(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C19H29N3O4/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)
InChIKeyBNRZWKNIWIEWHK-UHFFFAOYSA-N
XLogP1.17
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.17
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;hydrochloride
CID 119479381
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 119482116
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
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
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide (CID 119479382) is N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide is COc1ccc(OCCCC(=O)N2CCCC(C(=O)NCCN)C2)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide?
The InChIKey is BNRZWKNIWIEWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/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).
What are the key properties of N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.17, 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 is sourced from PubChem (CID 119479382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).