1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide

C14H21N5O2 — CID 126901018

IUPAC1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESCN1C(=O)CCCC1CN1CC(n2cc(C(N)=O)cn2)C1
InChIInChI=1S/C14H21N5O2/c1-17-11(3-2-4-13(17)20)7-18-8-12(9-18)19-6-10(5-16-19)14(15)21/h5-6,11-12H,2-4,7-9H2,1H3,(H2,15,21)
InChIKeySLXTZFAXYCMLOR-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.15
Rot. Bonds4

About 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide

1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901018) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901018
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESCN1C(=O)CCCC1CN1CC(n2cc(C(N)=O)cn2)C1
InChIInChI=1S/C14H21N5O2/c1-17-11(3-2-4-13(17)20)7-18-8-12(9-18)19-6-10(5-16-19)14(15)21/h5-6,11-12H,2-4,7-9H2,1H3,(H2,15,21)
InChIKeySLXTZFAXYCMLOR-UHFFFAOYSA-N
XLogP-0.15
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide (CID 126901018) is 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide is CN1C(=O)CCCC1CN1CC(n2cc(C(N)=O)cn2)C1.
What is the InChIKey of 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is SLXTZFAXYCMLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17-11(3-2-4-13(17)20)7-18-8-12(9-18)19-6-10(5-16-19)14(15)21/h5-6,11-12H,2-4,7-9H2,1H3,(H2,15,21).
What are the key properties of 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).