N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

C21H32ClN5O2 — CID 71457298

IUPACN-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
SMILESCNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1.Cl
InChIInChI=1S/C21H31N5O2.ClH/c1-15(2)26-18-7-5-4-6-17(18)20(24-26)21(28)23-14-16-8-11-25(12-9-16)13-10-19(27)22-3;/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)(H,23,28);1H
InChIKeyKVZPMBRUAZYLFQ-UHFFFAOYSA-N
MW421.97 g/mol
LogP2.62
Rot. Bonds7

About N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride (PubChem CID 71457298) has the molecular formula C21H32ClN5O2 and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
PubChem CID71457298
Molecular FormulaC21H32ClN5O2
Molecular Weight421.97 g/mol
Exact Mass421.22
IUPAC NameN-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
SMILESCNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1.Cl
InChIInChI=1S/C21H31N5O2.ClH/c1-15(2)26-18-7-5-4-6-17(18)20(24-26)21(28)23-14-16-8-11-25(12-9-16)13-10-19(27)22-3;/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)(H,23,28);1H
InChIKeyKVZPMBRUAZYLFQ-UHFFFAOYSA-N
XLogP2.62
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride (CID 71457298) is N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride is CNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1.Cl.
What is the InChIKey of N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The InChIKey is KVZPMBRUAZYLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2.ClH/c1-15(2)26-18-7-5-4-6-17(18)20(24-26)21(28)23-14-16-8-11-25(12-9-16)13-10-19(27)22-3;/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)(H,23,28);1H.
What are the key properties of N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71457298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).