ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide

C14H30N2O — CID 163401097

IUPACethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
SMILESCC.CCC(=O)N(C)CC1CCN(CC)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-4-12(15)13(3)10-11-6-8-14(5-2)9-7-11;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyMHMKPBISJJWGKP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.61
Rot. Bonds4

About ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide

ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide (PubChem CID 163401097) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
PubChem CID163401097
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide
SMILESCC.CCC(=O)N(C)CC1CCN(CC)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-4-12(15)13(3)10-11-6-8-14(5-2)9-7-11;1-2/h11H,4-10H2,1-3H3;1-2H3
InChIKeyMHMKPBISJJWGKP-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
N,3-dimethyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]butanamide
CID 171540237
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 131926271
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65055001
2-(1-ethylpiperidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 95124154
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
1,4-diethylpiperidine;ethane
CID 143709904
ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627
N-[2-(1-ethylpiperidin-4-yl)ethyl]-N,2-dimethylpropanamide
CID 170184810
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 71304532

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide (CID 163401097) is ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide is CC.CCC(=O)N(C)CC1CCN(CC)CC1.
What is the InChIKey of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide?
The InChIKey is MHMKPBISJJWGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2H6/c1-4-12(15)13(3)10-11-6-8-14(5-2)9-7-11;1-2/h11H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide?
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide has a molecular weight of 242.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 163401097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).