3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide

C15H23ClN4O2 — CID 70749697

IUPAC3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CCCN(C(=O)c2nn(C)cc2Cl)C1
InChIInChI=1S/C15H23ClN4O2/c1-18(2)13(21)7-6-11-5-4-8-20(9-11)15(22)14-12(16)10-19(3)17-14/h10-11H,4-9H2,1-3H3
InChIKeyHTCXBFAOONKXTC-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.79
Rot. Bonds4

About 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide

3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 70749697) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
PubChem CID70749697
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CCCN(C(=O)c2nn(C)cc2Cl)C1
InChIInChI=1S/C15H23ClN4O2/c1-18(2)13(21)7-6-11-5-4-8-20(9-11)15(22)14-12(16)10-19(3)17-14/h10-11H,4-9H2,1-3H3
InChIKeyHTCXBFAOONKXTC-UHFFFAOYSA-N
XLogP1.79
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97205451
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 90650048
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56864360
3-[(3R,4S)-1-(4-chloro-1-methylpyrazole-3-carbonyl)-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 72860858
ethyl 4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 19279135
1-[(3R,4R)-1-(4-chloro-1-methylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714311
4-chloro-1-methyl-N-[[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 131918433
3-[(3S)-1-[3-(2-methoxyphenyl)-1-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688376
(4-iodo-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 903337
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
3-[(3R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129415250

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide (CID 70749697) is 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCC1CCCN(C(=O)c2nn(C)cc2Cl)C1.
What is the InChIKey of 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is HTCXBFAOONKXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-18(2)13(21)7-6-11-5-4-8-20(9-11)15(22)14-12(16)10-19(3)17-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide?
3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 326.83 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 70749697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).