2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate

C24H40N2O3 — CID 10094826

IUPAC2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate
SMILESCCCCCCCOc1ccccc1N(CCC)C(=O)OCCN1CCCCC1
InChIInChI=1S/C24H40N2O3/c1-3-5-6-7-13-20-28-23-15-10-9-14-22(23)26(16-4-2)24(27)29-21-19-25-17-11-8-12-18-25/h9-10,14-15H,3-8,11-13,16-21H2,1-2H3
InChIKeyOVTAQUMMUTXBEO-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.87
Rot. Bonds13

About 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate

2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate (PubChem CID 10094826) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate
PubChem CID10094826
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate
SMILESCCCCCCCOc1ccccc1N(CCC)C(=O)OCCN1CCCCC1
InChIInChI=1S/C24H40N2O3/c1-3-5-6-7-13-20-28-23-15-10-9-14-22(23)26(16-4-2)24(27)29-21-19-25-17-11-8-12-18-25/h9-10,14-15H,3-8,11-13,16-21H2,1-2H3
InChIKeyOVTAQUMMUTXBEO-UHFFFAOYSA-N
XLogP5.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate
CID 21153695
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate;hydrochloride
CID 3042453
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
CID 3042507
N-[1,3-di(piperidin-1-yl)propyl]-N-(2-heptoxyphenyl)carbamate;dihydrochloride
CID 20980710
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
CID 3056944
dioctyl 3-[2-[2-[2-[5-octoxy-3-(2-octoxy-2-oxoethyl)-5-oxopentanoyl]oxyethyl-(2-piperidin-1-ylethoxycarbonyl)amino]ethoxy]-2-oxoethyl]pentanedioate
CID 172539191
(2-heptoxyphenyl)carbamic acid;2-pyrrolidin-1-ylethanol;hydrochloride
CID 21124995
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate?
The IUPAC name of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate (CID 10094826) is 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate?
The canonical SMILES for 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate is CCCCCCCOc1ccccc1N(CCC)C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate?
The InChIKey is OVTAQUMMUTXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-3-5-6-7-13-20-28-23-15-10-9-14-22(23)26(16-4-2)24(27)29-21-19-25-17-11-8-12-18-25/h9-10,14-15H,3-8,11-13,16-21H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate?
2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate has a molecular weight of 404.60 g/mol, XLogP of 5.87, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate is sourced from PubChem (CID 10094826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).