N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide

C21H28N4O3 — CID 99434082

IUPACN-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(OC2CCCC2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H28N4O3/c26-19(25-13-10-16(11-14-25)28-15-5-1-2-6-15)9-12-22-21(27)20-17-7-3-4-8-18(17)23-24-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,27)(H,23,24)
InChIKeyJSBXURCDMSZIMV-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.63
Rot. Bonds6

About N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide

N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 99434082) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID99434082
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCC(=O)N1CCC(OC2CCCC2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H28N4O3/c26-19(25-13-10-16(11-14-25)28-15-5-1-2-6-15)9-12-22-21(27)20-17-7-3-4-8-18(17)23-24-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,27)(H,23,24)
InChIKeyJSBXURCDMSZIMV-UHFFFAOYSA-N
XLogP2.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119621235
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide (CID 99434082) is N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide is O=C(NCCC(=O)N1CCC(OC2CCCC2)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is JSBXURCDMSZIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19(25-13-10-16(11-14-25)28-15-5-1-2-6-15)9-12-22-21(27)20-17-7-3-4-8-18(17)23-24-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,27)(H,23,24).
What are the key properties of N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99434082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).