2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate

C21H34N2O3 — CID 3042507

IUPAC2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
SMILESCCCCOc1cccc(N(CCC)C(=O)OCCN2CCCCC2)c1
InChIInChI=1S/C21H34N2O3/c1-3-5-16-25-20-11-9-10-19(18-20)23(12-4-2)21(24)26-17-15-22-13-7-6-8-14-22/h9-11,18H,3-8,12-17H2,1-2H3
InChIKeyDGRBOFLYGATDPH-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.70
Rot. Bonds10

About 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate

2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate (PubChem CID 3042507) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
PubChem CID3042507
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate
SMILESCCCCOc1cccc(N(CCC)C(=O)OCCN2CCCCC2)c1
InChIInChI=1S/C21H34N2O3/c1-3-5-16-25-20-11-9-10-19(18-20)23(12-4-2)21(24)26-17-15-22-13-7-6-8-14-22/h9-11,18H,3-8,12-17H2,1-2H3
InChIKeyDGRBOFLYGATDPH-UHFFFAOYSA-N
XLogP4.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.70
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-(3-pentoxyphenyl)-N-propylcarbamate;hydrochloride
CID 3042453
2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-propylcarbamate
CID 10094826
2-piperidin-1-ylethyl 4-butoxy-2-(2-piperidin-1-ylethyl)benzoate
CID 90023939
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
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3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
2-piperidin-1-ylethyl N-(2-heptoxyphenyl)-N-oxidocarbamate
CID 21153695
2-(N-amino-3-butoxyanilino)acetic acid
CID 19829832
[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697538
2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
CID 3056944

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate?
The IUPAC name of 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate (CID 3042507) is 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate?
The canonical SMILES for 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate is CCCCOc1cccc(N(CCC)C(=O)OCCN2CCCCC2)c1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate?
The InChIKey is DGRBOFLYGATDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-3-5-16-25-20-11-9-10-19(18-20)23(12-4-2)21(24)26-17-15-22-13-7-6-8-14-22/h9-11,18H,3-8,12-17H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate?
2-piperidin-1-ylethyl N-(3-butoxyphenyl)-N-propylcarbamate has a molecular weight of 362.51 g/mol, XLogP of 4.70, 10 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-(3-butoxyphenyl)-N-propylcarbamate is sourced from PubChem (CID 3042507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).