1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide

C20H28N4O2 — CID 72921377

IUPAC1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H28N4O2/c1-23(14-19-17-6-2-3-7-18(17)21-22-19)20(25)15-8-10-24(11-9-15)13-16-5-4-12-26-16/h4-5,12,15H,2-3,6-11,13-14H2,1H3,(H,21,22)
InChIKeyBRHLPYZRHXNVIG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.75
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 72921377) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
PubChem CID72921377
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H28N4O2/c1-23(14-19-17-6-2-3-7-18(17)21-22-19)20(25)15-8-10-24(11-9-15)13-16-5-4-12-26-16/h4-5,12,15H,2-3,6-11,13-14H2,1H3,(H,21,22)
InChIKeyBRHLPYZRHXNVIG-UHFFFAOYSA-N
XLogP2.75
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(3R)-1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95226609
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72878273
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 139598776
(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
(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97123779
1-[(3-fluorophenyl)methyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 56715379
(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
CID 99940335
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125445973
1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 91769477

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide (CID 72921377) is 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BRHLPYZRHXNVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23(14-19-17-6-2-3-7-18(17)21-22-19)20(25)15-8-10-24(11-9-15)13-16-5-4-12-26-16/h4-5,12,15H,2-3,6-11,13-14H2,1H3,(H,21,22).
What are the key properties of 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72921377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).