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

C18H25N5O2 — CID 120814162

IUPACN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC1(C)CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CCC1N
InChIInChI=1S/C18H25N5O2/c1-18(2)11-23(10-8-14(18)19)15(24)7-9-20-17(25)16-12-5-3-4-6-13(12)21-22-16/h3-6,14H,7-11,19H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyFTKDWPZQCLVUHL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.27
Rot. Bonds4

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

N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 120814162) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID120814162
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC1(C)CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CCC1N
InChIInChI=1S/C18H25N5O2/c1-18(2)11-23(10-8-14(18)19)15(24)7-9-20-17(25)16-12-5-3-4-6-13(12)21-22-16/h3-6,14H,7-11,19H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyFTKDWPZQCLVUHL-UHFFFAOYSA-N
XLogP1.27
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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
CID 120814936
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 120814935
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 120818166
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide (CID 120814162) is N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide is CC1(C)CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CCC1N.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is FTKDWPZQCLVUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2)11-23(10-8-14(18)19)15(24)7-9-20-17(25)16-12-5-3-4-6-13(12)21-22-16/h3-6,14H,7-11,19H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 120814162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).