4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide

C14H27N3O — CID 90447178

IUPAC4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12-3-9-17(10-4-12)14(18)15-11-13-5-7-16(2)8-6-13/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyFQOJIQSOJCIDKD-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds2

About 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide

4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 90447178) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID90447178
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12-3-9-17(10-4-12)14(18)15-11-13-5-7-16(2)8-6-13/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyFQOJIQSOJCIDKD-UHFFFAOYSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide (CID 90447178) is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide is CC1CCN(C(=O)NCC2CCN(C)CC2)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is FQOJIQSOJCIDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-3-9-17(10-4-12)14(18)15-11-13-5-7-16(2)8-6-13/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90447178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).