2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride

C16H23ClN2O3 — CID 45048307

IUPAC2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-13(19)14-5-7-15(8-6-14)17-16(20)21-12-11-18-9-3-2-4-10-18;/h5-8H,2-4,9-12H2,1H3,(H,17,20);1H
InChIKeyJKVBNXDFGPXTFW-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.35
Rot. Bonds5

About 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride

2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride (PubChem CID 45048307) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
PubChem CID45048307
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
SMILESCC(=O)c1ccc(NC(=O)OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-13(19)14-5-7-15(8-6-14)17-16(20)21-12-11-18-9-3-2-4-10-18;/h5-8H,2-4,9-12H2,1H3,(H,17,20);1H
InChIKeyJKVBNXDFGPXTFW-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
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2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
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ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
CID 11035624
2-hydroxyethyl N-(4-piperidin-1-ylphenyl)carbamate
CID 79349659
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride (CID 45048307) is 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride is CC(=O)c1ccc(NC(=O)OCCN2CCCCC2)cc1.Cl.
What is the InChIKey of 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride?
The InChIKey is JKVBNXDFGPXTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-13(19)14-5-7-15(8-6-14)17-16(20)21-12-11-18-9-3-2-4-10-18;/h5-8H,2-4,9-12H2,1H3,(H,17,20);1H.
What are the key properties of 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride?
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride is sourced from PubChem (CID 45048307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).