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

C21H33N2O4- — CID 21153695

IUPAC2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate
SMILESCCCCCCCOc1ccccc1N([O-])C(=O)OCCN1CCCCC1
InChIInChI=1S/C21H33N2O4/c1-2-3-4-5-11-17-26-20-13-8-7-12-19(20)23(25)21(24)27-18-16-22-14-9-6-10-15-22/h7-8,12-13H,2-6,9-11,14-18H2,1H3/q-1
InChIKeyGKOFJDPJLVSYEG-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.96
Rot. Bonds11

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

2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate (PubChem CID 21153695) has the molecular formula C21H33N2O4- and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate
PubChem CID21153695
Molecular FormulaC21H33N2O4-
Molecular Weight377.51 g/mol
Exact Mass377.24
IUPAC Name2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate
SMILESCCCCCCCOc1ccccc1N([O-])C(=O)OCCN1CCCCC1
InChIInChI=1S/C21H33N2O4/c1-2-3-4-5-11-17-26-20-13-8-7-12-19(20)23(25)21(24)27-18-16-22-14-9-6-10-15-22/h7-8,12-13H,2-6,9-11,14-18H2,1H3/q-1
InChIKeyGKOFJDPJLVSYEG-UHFFFAOYSA-N
XLogP4.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate
CID 10094826
N-[1,3-di(piperidin-1-yl)propyl]-N-(2-heptoxyphenyl)carbamate;dihydrochloride
CID 20980710
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate;hydrochloride
CID 3042453
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
(2-heptoxyphenyl)carbamic acid;2-pyrrolidin-1-ylethanol;hydrochloride
CID 21124995
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
CID 3042507
2-piperidin-1-ylethyl heptadecanoate
CID 118631056

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate?
The IUPAC name of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate (CID 21153695) is 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate?
The canonical SMILES for 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate is CCCCCCCOc1ccccc1N([O-])C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate?
The InChIKey is GKOFJDPJLVSYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N2O4/c1-2-3-4-5-11-17-26-20-13-8-7-12-19(20)23(25)21(24)27-18-16-22-14-9-6-10-15-22/h7-8,12-13H,2-6,9-11,14-18H2,1H3/q-1.
What are the key properties of 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate?
2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate has a molecular weight of 377.51 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate is sourced from PubChem (CID 21153695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).