3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate

C24H40N2O3 — CID 15937470

IUPAC3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1cccc(NC(=O)OCCCN2CCCCC2)c1
InChIInChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-11-19-28-23-15-12-14-22(21-23)25-24(27)29-20-13-18-26-16-9-8-10-17-26/h12,14-15,21H,2-11,13,16-20H2,1H3,(H,25,27)
InChIKeyGCJHZVDVOQKWNR-UHFFFAOYSA-N
MW404.60 g/mol
LogP6.24
Rot. Bonds14

About 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate

3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate (PubChem CID 15937470) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
PubChem CID15937470
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1cccc(NC(=O)OCCCN2CCCCC2)c1
InChIInChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-11-19-28-23-15-12-14-22(21-23)25-24(27)29-20-13-18-26-16-9-8-10-17-26/h12,14-15,21H,2-11,13,16-20H2,1H3,(H,25,27)
InChIKeyGCJHZVDVOQKWNR-UHFFFAOYSA-N
XLogP6.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
CID 24836360
1,3-di(piperidin-1-yl)propan-2-yl N-(3-butoxyphenyl)carbamate
CID 3087334
(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-hexoxyphenyl)carbamate
CID 3072629
[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-hexoxyphenyl)carbamate
CID 11741858
(2-propoxy-1-pyrrolidin-1-ylethyl) N-(3-hexoxyphenyl)carbamate
CID 101026162
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
(3-hexoxyphenyl)urea
CID 102387253
(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
CID 24836354
[1-(diethylamino)-3-piperidin-1-ylpropan-2-yl] N-(3-pentoxyphenyl)carbamate;dihydrochloride
CID 13127177
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate (CID 15937470) is 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate is CCCCCCCCCOc1cccc(NC(=O)OCCCN2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate?
The InChIKey is GCJHZVDVOQKWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-11-19-28-23-15-12-14-22(21-23)25-24(27)29-20-13-18-26-16-9-8-10-17-26/h12,14-15,21H,2-11,13,16-20H2,1H3,(H,25,27).
What are the key properties of 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate?
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate has a molecular weight of 404.60 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate is sourced from PubChem (CID 15937470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).