N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide

C18H23N5O2 — CID 155946339

IUPACN-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCC1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N5O2/c24-17(16-14-6-1-2-7-15(14)20-21-16)22-8-10-23(11-9-22)18(25)19-12-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12H2,(H,19,25)(H,20,21)
InChIKeyLFRHRKLIRSYTOZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.83
Rot. Bonds3

About N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide

N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide (PubChem CID 155946339) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
PubChem CID155946339
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCC1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N5O2/c24-17(16-14-6-1-2-7-15(14)20-21-16)22-8-10-23(11-9-22)18(25)19-12-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12H2,(H,19,25)(H,20,21)
InChIKeyLFRHRKLIRSYTOZ-UHFFFAOYSA-N
XLogP1.83
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
N-(cyclooctylmethyl)-4-(2-hydroxybenzoyl)piperazine-1-carboxamide
CID 71889407
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide (CID 155946339) is N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide is O=C(NCC1CCC1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is LFRHRKLIRSYTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(16-14-6-1-2-7-15(14)20-21-16)22-8-10-23(11-9-22)18(25)19-12-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12H2,(H,19,25)(H,20,21).
What are the key properties of N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide?
N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 155946339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).