N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C18H25N5O2 — CID 120814936

IUPACN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H25N5O2/c1-11(17(25)23-9-8-14(19)18(2,3)10-23)20-16(24)15-12-6-4-5-7-13(12)21-22-15/h4-7,11,14H,8-10,19H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyMEOZPHGLKFLXTC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.27
Rot. Bonds3

About N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 120814936) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID120814936
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H25N5O2/c1-11(17(25)23-9-8-14(19)18(2,3)10-23)20-16(24)15-12-6-4-5-7-13(12)21-22-15/h4-7,11,14H,8-10,19H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyMEOZPHGLKFLXTC-UHFFFAOYSA-N
XLogP1.27
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 120814935
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119652161
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-[(2R)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 52519497
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120820062
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide
CID 43926474
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
N-(2,2-dimethylcyclopentyl)-1H-indazole-3-carboxamide
CID 79833072

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 120814936) is N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is MEOZPHGLKFLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(17(25)23-9-8-14(19)18(2,3)10-23)20-16(24)15-12-6-4-5-7-13(12)21-22-15/h4-7,11,14H,8-10,19H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 120814936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).