3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide

C16H31N3O — CID 86768320

IUPAC3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCCN(C(C)C)C2)C1
InChIInChI=1S/C16H31N3O/c1-13(2)18-8-5-7-15(12-18)10-17-16(20)19-9-4-6-14(3)11-19/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeySYJUHBGPAAYFTM-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.55
Rot. Bonds3

About 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide

3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 86768320) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID86768320
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCCN(C(C)C)C2)C1
InChIInChI=1S/C16H31N3O/c1-13(2)18-8-5-7-15(12-18)10-17-16(20)19-9-4-6-14(3)11-19/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeySYJUHBGPAAYFTM-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide (CID 86768320) is 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NCC2CCCN(C(C)C)C2)C1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SYJUHBGPAAYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)18-8-5-7-15(12-18)10-17-16(20)19-9-4-6-14(3)11-19/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86768320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).