N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide

C14H17ClN2O3 — CID 61029942

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C14H17ClN2O3/c15-10-6-12-13(20-8-19-12)7-11(10)17-14(18)5-9-1-3-16-4-2-9/h6-7,9,16H,1-5,8H2,(H,17,18)
InChIKeyVFHYALIIOCOTFW-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.40
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide

N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide (PubChem CID 61029942) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
PubChem CID61029942
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C14H17ClN2O3/c15-10-6-12-13(20-8-19-12)7-11(10)17-14(18)5-9-1-3-16-4-2-9/h6-7,9,16H,1-5,8H2,(H,17,18)
InChIKeyVFHYALIIOCOTFW-UHFFFAOYSA-N
XLogP2.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide
CID 119697756
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 112722706
N-[5-chloro-2-(dimethylamino)phenyl]-2-piperidin-4-ylacetamide
CID 61029113
3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 82812101
(2R,5S)-5-[(6-chloro-1,3-benzodioxol-5-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944688
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 18103899

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide (CID 61029942) is N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cc2c(cc1Cl)OCO2.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide?
The InChIKey is VFHYALIIOCOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-6-12-13(20-8-19-12)7-11(10)17-14(18)5-9-1-3-16-4-2-9/h6-7,9,16H,1-5,8H2,(H,17,18).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide has a molecular weight of 296.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 61029942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).