4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

C15H29N3O — CID 90447177

IUPAC4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-10-6-14(7-11-17)16-15(19)18-8-4-13(3)5-9-18/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyXHAWSXWLQGGADL-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.30
Rot. Bonds2

About 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 90447177) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID90447177
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-10-6-14(7-11-17)16-15(19)18-8-4-13(3)5-9-18/h12-14H,4-11H2,1-3H3,(H,16,19)
InChIKeyXHAWSXWLQGGADL-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.30
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-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (CID 90447177) is 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is CC1CCN(C(=O)NC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is XHAWSXWLQGGADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)17-10-6-14(7-11-17)16-15(19)18-8-4-13(3)5-9-18/h12-14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.30, 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-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90447177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).