(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate

C19H30N2O4 — CID 24836354

IUPAC(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
SMILESCCCCOc1cccc(NC(=O)OC(CO)CN2CCCCC2)c1
InChIInChI=1S/C19H30N2O4/c1-2-3-12-24-17-9-7-8-16(13-17)20-19(23)25-18(15-22)14-21-10-5-4-6-11-21/h7-9,13,18,22H,2-6,10-12,14-15H2,1H3,(H,20,23)
InChIKeyWAMCNCDCSRGSCB-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.26
Rot. Bonds9

About (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate

(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate (PubChem CID 24836354) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate.

Molecular Properties

Compound Name(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
PubChem CID24836354
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate
SMILESCCCCOc1cccc(NC(=O)OC(CO)CN2CCCCC2)c1
InChIInChI=1S/C19H30N2O4/c1-2-3-12-24-17-9-7-8-16(13-17)20-19(23)25-18(15-22)14-21-10-5-4-6-11-21/h7-9,13,18,22H,2-6,10-12,14-15H2,1H3,(H,20,23)
InChIKeyWAMCNCDCSRGSCB-UHFFFAOYSA-N
XLogP3.26
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
[1-(diethylamino)-3-piperidin-1-ylpropan-2-yl] N-(3-pentoxyphenyl)carbamate;dihydrochloride
CID 13127177
[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)propan-2-yl] N-(3-pentoxyphenyl)carbamate
CID 101339704
(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
CID 24836360
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
CID 101362582
(2-propoxy-1-pyrrolidin-1-ylethyl) N-(3-hexoxyphenyl)carbamate
CID 101026162
1,3-di(piperidin-1-yl)propan-2-yl N-(2-hexoxyphenyl)carbamate;dihydrochloride
CID 3087312
[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-hexoxyphenyl)carbamate
CID 11741858
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
[1-(azepan-1-yl)-3-(diethylamino)propan-2-yl] N-(2-pentoxyphenyl)carbamate
CID 13127159

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate?
The IUPAC name of (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate (CID 24836354) is (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate.
What is the SMILES notation for (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate?
The canonical SMILES for (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate is CCCCOc1cccc(NC(=O)OC(CO)CN2CCCCC2)c1.
What is the InChIKey of (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate?
The InChIKey is WAMCNCDCSRGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-2-3-12-24-17-9-7-8-16(13-17)20-19(23)25-18(15-22)14-21-10-5-4-6-11-21/h7-9,13,18,22H,2-6,10-12,14-15H2,1H3,(H,20,23).
What are the key properties of (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate?
(1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate has a molecular weight of 350.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-piperidin-1-ylpropan-2-yl) N-(3-butoxyphenyl)carbamate is sourced from PubChem (CID 24836354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).