[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate

C25H42N2O3 — CID 102023040

IUPAC[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate
SMILESCCCCCCCCCCOc1ccccc1NC(=O)O[C@H](C)CN1CCCCC1
InChIInChI=1S/C25H42N2O3/c1-3-4-5-6-7-8-9-15-20-29-24-17-12-11-16-23(24)26-25(28)30-22(2)21-27-18-13-10-14-19-27/h11-12,16-17,22H,3-10,13-15,18-21H2,1-2H3,(H,26,28)/t22-/m1/s1
InChIKeySRFXFGBUZJIGHN-JOCHJYFZSA-N
MW418.62 g/mol
LogP6.63
Rot. Bonds14

About [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate

[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate (PubChem CID 102023040) has the molecular formula C25H42N2O3 and a molecular weight of 418.62 g/mol. Its IUPAC name is [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate
PubChem CID102023040
Molecular FormulaC25H42N2O3
Molecular Weight418.62 g/mol
Exact Mass418.32
IUPAC Name[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate
SMILESCCCCCCCCCCOc1ccccc1NC(=O)O[C@H](C)CN1CCCCC1
InChIInChI=1S/C25H42N2O3/c1-3-4-5-6-7-8-9-15-20-29-24-17-12-11-16-23(24)26-25(28)30-22(2)21-27-18-13-10-14-19-27/h11-12,16-17,22H,3-10,13-15,18-21H2,1-2H3,(H,26,28)/t22-/m1/s1
InChIKeySRFXFGBUZJIGHN-JOCHJYFZSA-N
XLogP6.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 56.63
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

1-piperidin-1-ylpropan-2-yl N-(2-hexoxyphenyl)carbamate;hydrochloride
CID 10250309
1,3-di(piperidin-1-yl)propan-2-yl N-(2-hexoxyphenyl)carbamate;dihydrochloride
CID 3087312
[1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(2-hexoxyphenyl)carbamate;dihydrochloride
CID 13127162
[1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(2-pentoxyphenyl)carbamate
CID 13127159
oxalic acid;(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-hexoxyphenyl)carbamate
CID 3072620
[1-(diethylamino)-3-pyrrolidin-1-ylpropan-2-yl] N-(2-hexoxyphenyl)carbamate;oxalic acid
CID 24836237
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
CID 101362582
2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
CID 138400224
(2-methoxy-1-piperidin-1-ylethyl) N-(2-heptoxyphenyl)carbamate
CID 101026116
[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)propan-2-yl] N-(2-hexoxyphenyl)carbamate
CID 101339698
(2-ethoxy-1-pyrrolidin-1-ylethyl) N-(2-heptoxyphenyl)carbamate
CID 101026136
[1-(2-ethoxyethoxy)-3-pyrrolidin-1-ylpropan-2-yl] N-(2-butoxyphenyl)carbamate;oxalic acid
CID 24836159

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate?
The IUPAC name of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate (CID 102023040) is [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate.
What is the SMILES notation for [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate?
The canonical SMILES for [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate is CCCCCCCCCCOc1ccccc1NC(=O)O[C@H](C)CN1CCCCC1.
What is the InChIKey of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate?
The InChIKey is SRFXFGBUZJIGHN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H42N2O3/c1-3-4-5-6-7-8-9-15-20-29-24-17-12-11-16-23(24)26-25(28)30-22(2)21-27-18-13-10-14-19-27/h11-12,16-17,22H,3-10,13-15,18-21H2,1-2H3,(H,26,28)/t22-/m1/s1.
What are the key properties of [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate?
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate has a molecular weight of 418.62 g/mol, XLogP of 6.63, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate is sourced from PubChem (CID 102023040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).