1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide

C21H22N4O2 — CID 121497364

IUPAC1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESCn1ncc2cc(-c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)ccc21
InChIInChI=1S/C21H22N4O2/c1-24-19-7-6-17(12-18(19)13-23-24)14-2-4-16(5-3-14)21(27)25-10-8-15(9-11-25)20(22)26/h2-7,12-13,15H,8-11H2,1H3,(H2,22,26)
InChIKeyIHVJYVXSEAZJRK-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.58
Rot. Bonds3

About 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide

1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 121497364) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
PubChem CID121497364
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
SMILESCn1ncc2cc(-c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)ccc21
InChIInChI=1S/C21H22N4O2/c1-24-19-7-6-17(12-18(19)13-23-24)14-2-4-16(5-3-14)21(27)25-10-8-15(9-11-25)20(22)26/h2-7,12-13,15H,8-11H2,1H3,(H2,22,26)
InChIKeyIHVJYVXSEAZJRK-UHFFFAOYSA-N
XLogP2.58
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[4-[1-(hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 155267798
[4-(1-methylindazol-5-yl)phenyl]-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 126449691
[4-(1-methylindazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126449690
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 165418044
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
CID 110765911
[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 162090850
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide (CID 121497364) is 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide is Cn1ncc2cc(-c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)ccc21.
What is the InChIKey of 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is IHVJYVXSEAZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-19-7-6-17(12-18(19)13-23-24)14-2-4-16(5-3-14)21(27)25-10-8-15(9-11-25)20(22)26/h2-7,12-13,15H,8-11H2,1H3,(H2,22,26).
What are the key properties of 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide?
1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 121497364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).