4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

C25H32N4O3 — CID 26396856

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-28(16-23-21-4-2-3-5-22(21)26-27-23)24(30)17-8-10-19(11-9-17)32-20-12-14-29(15-13-20)25(31)18-6-7-18/h8-11,18,20H,2-7,12-16H2,1H3,(H,26,27)
InChIKeyPCQFDTJDWGKJAW-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.34
Rot. Bonds6

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide (PubChem CID 26396856) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
PubChem CID26396856
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H32N4O3/c1-28(16-23-21-4-2-3-5-22(21)26-27-23)24(30)17-8-10-19(11-9-17)32-20-12-14-29(15-13-20)25(31)18-6-7-18/h8-11,18,20H,2-7,12-16H2,1H3,(H,26,27)
InChIKeyPCQFDTJDWGKJAW-UHFFFAOYSA-N
XLogP3.34
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135090165
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CID 70717359
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 42189573
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 45200875
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
N-[1-[4-[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 42362452
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154820699
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
(1S,3S,4S)-3-amino-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-hydroxy-N-methylcyclopentane-1-carboxamide
CID 154818211
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 139598776

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide (CID 26396856) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
The InChIKey is PCQFDTJDWGKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-28(16-23-21-4-2-3-5-22(21)26-27-23)24(30)17-8-10-19(11-9-17)32-20-12-14-29(15-13-20)25(31)18-6-7-18/h8-11,18,20H,2-7,12-16H2,1H3,(H,26,27).
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide is sourced from PubChem (CID 26396856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).