N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C22H30N4O2 — CID 55895763

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)n1
InChIInChI=1S/C22H30N4O2/c1-14-8-15(2)12-25(11-14)22(28)19-7-6-16(3)20(10-19)23-21(27)13-26-18(5)9-17(4)24-26/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,23,27)
InChIKeyFIWMPTCPERKPCO-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.57
Rot. Bonds4

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 55895763) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID55895763
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)n1
InChIInChI=1S/C22H30N4O2/c1-14-8-15(2)12-25(11-14)22(28)19-7-6-16(3)20(10-19)23-21(27)13-26-18(5)9-17(4)24-26/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,23,27)
InChIKeyFIWMPTCPERKPCO-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone
CID 102553763
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71684974
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 56512790
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-oxobutanamide
CID 55895134
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
CID 132970155

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 55895763) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2cc(C(=O)N3CC(C)CC(C)C3)ccc2C)n1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is FIWMPTCPERKPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-14-8-15(2)12-25(11-14)22(28)19-7-6-16(3)20(10-19)23-21(27)13-26-18(5)9-17(4)24-26/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,23,27).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 55895763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).