2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide

C16H25N5O2 — CID 70765400

IUPAC2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)n(C2CN(C(=O)C3CCN(CC(N)=O)CC3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-11-7-12(2)21(18-11)14-8-20(9-14)16(23)13-3-5-19(6-4-13)10-15(17)22/h7,13-14H,3-6,8-10H2,1-2H3,(H2,17,22)
InChIKeyNTPKIYWKIIGKDO-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.08
Rot. Bonds4

About 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide

2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 70765400) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID70765400
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)n(C2CN(C(=O)C3CCN(CC(N)=O)CC3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-11-7-12(2)21(18-11)14-8-20(9-14)16(23)13-3-5-19(6-4-13)10-15(17)22/h7,13-14H,3-6,8-10H2,1-2H3,(H2,17,22)
InChIKeyNTPKIYWKIIGKDO-UHFFFAOYSA-N
XLogP0.08
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide (CID 70765400) is 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide is Cc1cc(C)n(C2CN(C(=O)C3CCN(CC(N)=O)CC3)C2)n1.
What is the InChIKey of 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is NTPKIYWKIIGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-7-12(2)21(18-11)14-8-20(9-14)16(23)13-3-5-19(6-4-13)10-15(17)22/h7,13-14H,3-6,8-10H2,1-2H3,(H2,17,22).
What are the key properties of 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 70765400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).