ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide

C14H30N2O2 — CID 142326915

IUPACethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide
SMILESCC.CC(C)CC(=O)NC1(CO)CCN(C)CC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-10(2)8-11(16)13-12(9-15)4-6-14(3)7-5-12;1-2/h10,15H,4-9H2,1-3H3,(H,13,16);1-2H3
InChIKeyOMRMXJHRCRMUDW-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds4

About ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide

ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide (PubChem CID 142326915) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound Nameethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide
PubChem CID142326915
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide
SMILESCC.CC(C)CC(=O)NC1(CO)CCN(C)CC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-10(2)8-11(16)13-12(9-15)4-6-14(3)7-5-12;1-2/h10,15H,4-9H2,1-3H3,(H,13,16);1-2H3
InChIKeyOMRMXJHRCRMUDW-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide?
The IUPAC name of ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide (CID 142326915) is ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide is CC.CC(C)CC(=O)NC1(CO)CCN(C)CC1.
What is the InChIKey of ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide?
The InChIKey is OMRMXJHRCRMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-10(2)8-11(16)13-12(9-15)4-6-14(3)7-5-12;1-2/h10,15H,4-9H2,1-3H3,(H,13,16);1-2H3.
What are the key properties of ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide?
ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide has a molecular weight of 258.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 142326915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).