N-(1-butylpiperidin-4-yl)-N-methylacetamide

C12H24N2O — CID 70802066

IUPACN-(1-butylpiperidin-4-yl)-N-methylacetamide
SMILESCCCCN1CCC(N(C)C(C)=O)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-8-14-9-6-12(7-10-14)13(3)11(2)15/h12H,4-10H2,1-3H3
InChIKeyFGPJJDIDUJYLOT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.73
Rot. Bonds4

About N-(1-butylpiperidin-4-yl)-N-methylacetamide

N-(1-butylpiperidin-4-yl)-N-methylacetamide (PubChem CID 70802066) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-N-methylacetamide
PubChem CID70802066
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(1-butylpiperidin-4-yl)-N-methylacetamide
SMILESCCCCN1CCC(N(C)C(C)=O)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-8-14-9-6-12(7-10-14)13(3)11(2)15/h12H,4-10H2,1-3H3
InChIKeyFGPJJDIDUJYLOT-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylacetamide
CID 174748240
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide;methoxymethane
CID 54290995
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159
acetic acid;1-dodecyl-4-ethylpiperidine
CID 175583863
acetic acid;4-ethyl-1-hexylpiperidine
CID 175583898

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-N-methylacetamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-N-methylacetamide (CID 70802066) is N-(1-butylpiperidin-4-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-N-methylacetamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-N-methylacetamide is CCCCN1CCC(N(C)C(C)=O)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-N-methylacetamide?
The InChIKey is FGPJJDIDUJYLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-8-14-9-6-12(7-10-14)13(3)11(2)15/h12H,4-10H2,1-3H3.
What are the key properties of N-(1-butylpiperidin-4-yl)-N-methylacetamide?
N-(1-butylpiperidin-4-yl)-N-methylacetamide has a molecular weight of 212.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-N-methylacetamide is sourced from PubChem (CID 70802066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).