N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C21H26N2O — CID 165365115

IUPACN-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C1CCN(CCc2ccccc2)CC1)[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChIInChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3/i3+1,6+1,7+1,10+1,11+1,20+1
InChIKeyFYIUUQUPOKIKNI-WKTIYVLISA-N
MW328.41 g/mol
LogP3.75
Rot. Bonds5

About N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 165365115) has the molecular formula C21H26N2O and a molecular weight of 328.41 g/mol. Its IUPAC name is N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID165365115
Molecular FormulaC21H26N2O
Molecular Weight328.41 g/mol
Exact Mass328.22
IUPAC NameN-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C1CCN(CCc2ccccc2)CC1)[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChIInChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3/i3+1,6+1,7+1,10+1,11+1,20+1
InChIKeyFYIUUQUPOKIKNI-WKTIYVLISA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 139032969
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
trans-(1S,2S)-2-[phenyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 178169179

Frequently Asked Questions

What is the IUPAC name of N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 165365115) is N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is CC(=O)N(C1CCN(CCc2ccccc2)CC1)[13c]1[13cH][13cH][13cH][13cH][13cH]1.
What is the InChIKey of N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is FYIUUQUPOKIKNI-WKTIYVLISA-N. The full InChI is InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3/i3+1,6+1,7+1,10+1,11+1,20+1.
What are the key properties of N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 165365115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).