N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride

C18H26ClN5O2 — CID 119545241

IUPACN-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCNCC1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-19-12-13-7-10-23(11-8-13)16(24)6-9-20-18(25)17-14-4-2-3-5-15(14)21-22-17;/h2-5,13,19H,6-12H2,1H3,(H,20,25)(H,21,22);1H
InChIKeyLYKNDXTVXKRGEK-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.56
Rot. Bonds6

About N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119545241) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119545241
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC NameN-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCNCC1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-19-12-13-7-10-23(11-8-13)16(24)6-9-20-18(25)17-14-4-2-3-5-15(14)21-22-17;/h2-5,13,19H,6-12H2,1H3,(H,20,25)(H,21,22);1H
InChIKeyLYKNDXTVXKRGEK-UHFFFAOYSA-N
XLogP1.56
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (CID 119545241) is N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is CNCC1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1.Cl.
What is the InChIKey of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is LYKNDXTVXKRGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-19-12-13-7-10-23(11-8-13)16(24)6-9-20-18(25)17-14-4-2-3-5-15(14)21-22-17;/h2-5,13,19H,6-12H2,1H3,(H,20,25)(H,21,22);1H.
What are the key properties of N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119545241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).