1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide

C12H21N3O2 — CID 64617367

IUPAC1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-12(17)10-2-4-15(5-3-10)11(16)6-9-7-14-8-9/h9-10,14H,2-8H2,1H3,(H,13,17)
InChIKeyQCSRSOUTMDBITN-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.42
Rot. Bonds3

About 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide

1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 64617367) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID64617367
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-12(17)10-2-4-15(5-3-10)11(16)6-9-7-14-8-9/h9-10,14H,2-8H2,1H3,(H,13,17)
InChIKeyQCSRSOUTMDBITN-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
2,2-diethyl-4-[4-(methylcarbamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 43578427
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide (CID 64617367) is 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QCSRSOUTMDBITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-12(17)10-2-4-15(5-3-10)11(16)6-9-7-14-8-9/h9-10,14H,2-8H2,1H3,(H,13,17).
What are the key properties of 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide?
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 64617367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).