ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide

C19H32N2O — CID 142036974

IUPACethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
SMILESCC.CN(CCCCC1CCNCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H26N2O.C2H6/c1-19(17(20)16-8-3-2-4-9-16)14-6-5-7-15-10-12-18-13-11-15;1-2/h2-4,8-9,15,18H,5-7,10-14H2,1H3;1-2H3
InChIKeyLYGGGUOMEWCMRK-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.95
Rot. Bonds6

About ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide

ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide (PubChem CID 142036974) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
PubChem CID142036974
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Nameethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
SMILESCC.CN(CCCCC1CCNCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H26N2O.C2H6/c1-19(17(20)16-8-3-2-4-9-16)14-6-5-7-15-10-12-18-13-11-15;1-2/h2-4,8-9,15,18H,5-7,10-14H2,1H3;1-2H3
InChIKeyLYGGGUOMEWCMRK-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
4-ethyl-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60915091
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
CID 54945242
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide?
The IUPAC name of ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide (CID 142036974) is ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide.
What is the SMILES notation for ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide?
The canonical SMILES for ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide is CC.CN(CCCCC1CCNCC1)C(=O)c1ccccc1.
What is the InChIKey of ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide?
The InChIKey is LYGGGUOMEWCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C2H6/c1-19(17(20)16-8-3-2-4-9-16)14-6-5-7-15-10-12-18-13-11-15;1-2/h2-4,8-9,15,18H,5-7,10-14H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide?
ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide has a molecular weight of 304.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide is sourced from PubChem (CID 142036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).