N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide

C19H31N3O3 — CID 119916827

IUPACN-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide
SMILESCCCOc1ccc(OCCN2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C19H31N3O3/c1-2-13-24-17-5-7-18(8-6-17)25-14-12-22-11-3-4-16(15-22)19(23)21-10-9-20/h5-8,16H,2-4,9-15,20H2,1H3,(H,21,23)
InChIKeyLUAPNSWSLJZLFQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.64
Rot. Bonds10

About N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 119916827) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide
PubChem CID119916827
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide
SMILESCCCOc1ccc(OCCN2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C19H31N3O3/c1-2-13-24-17-5-7-18(8-6-17)25-14-12-22-11-3-4-16(15-22)19(23)21-10-9-20/h5-8,16H,2-4,9-15,20H2,1H3,(H,21,23)
InChIKeyLUAPNSWSLJZLFQ-UHFFFAOYSA-N
XLogP1.64
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119916756
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916755
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide (CID 119916827) is N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide is CCCOc1ccc(OCCN2CCCC(C(=O)NCCN)C2)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is LUAPNSWSLJZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-2-13-24-17-5-7-18(8-6-17)25-14-12-22-11-3-4-16(15-22)19(23)21-10-9-20/h5-8,16H,2-4,9-15,20H2,1H3,(H,21,23).
What are the key properties of N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.64, 10 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-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).