(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide

C15H23N5O2 — CID 97122457

IUPAC(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(C2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)n1
InChIInChI=1S/C15H23N5O2/c1-10-6-11(2)20(17-10)13-8-19(9-13)14(21)12-4-3-5-18(7-12)15(16)22/h6,12-13H,3-5,7-9H2,1-2H3,(H2,16,22)/t12-/m1/s1
InChIKeyBWEZCQYLKHWXSI-GFCCVEGCSA-N
MW305.38 g/mol
LogP0.67
Rot. Bonds2

About (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide

(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 97122457) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID97122457
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(C2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)n1
InChIInChI=1S/C15H23N5O2/c1-10-6-11(2)20(17-10)13-8-19(9-13)14(21)12-4-3-5-18(7-12)15(16)22/h6,12-13H,3-5,7-9H2,1-2H3,(H2,16,22)/t12-/m1/s1
InChIKeyBWEZCQYLKHWXSI-GFCCVEGCSA-N
XLogP0.67
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97202293
2-[4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70765400
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
1-[(2S)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340542
1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340544
(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97112972
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[(4S)-4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95290454
1-[3-(azepane-1-carbonyl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46957824
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide (CID 97122457) is (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide is Cc1cc(C)n(C2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)n1.
What is the InChIKey of (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is BWEZCQYLKHWXSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-6-11(2)20(17-10)13-8-19(9-13)14(21)12-4-3-5-18(7-12)15(16)22/h6,12-13H,3-5,7-9H2,1-2H3,(H2,16,22)/t12-/m1/s1.
What are the key properties of (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 97122457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).