N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H33N5OS — CID 74415456

IUPACN-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cnc(-c3ccccc3)s2)C1)C1NNC2CCCCC21
InChIInChI=1S/C24H33N5OS/c30-23(22-20-10-4-5-11-21(20)27-28-22)25-13-17-7-6-12-29(15-17)16-19-14-26-24(31-19)18-8-2-1-3-9-18/h1-3,8-9,14,17,20-22,27-28H,4-7,10-13,15-16H2,(H,25,30)
InChIKeyFOVFNMVGLMWDDQ-UHFFFAOYSA-N
MW439.63 g/mol
LogP3.17
Rot. Bonds6

About N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 74415456) has the molecular formula C24H33N5OS and a molecular weight of 439.63 g/mol. Its IUPAC name is N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID74415456
Molecular FormulaC24H33N5OS
Molecular Weight439.63 g/mol
Exact Mass439.24
IUPAC NameN-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCCN(Cc2cnc(-c3ccccc3)s2)C1)C1NNC2CCCCC21
InChIInChI=1S/C24H33N5OS/c30-23(22-20-10-4-5-11-21(20)27-28-22)25-13-17-7-6-12-29(15-17)16-19-14-26-24(31-19)18-8-2-1-3-9-18/h1-3,8-9,14,17,20-22,27-28H,4-7,10-13,15-16H2,(H,25,30)
InChIKeyFOVFNMVGLMWDDQ-UHFFFAOYSA-N
XLogP3.17
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
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CID 45227302
(3aS,6aS)-5-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570847
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 95208034
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
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N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
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N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 74415456) is N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(NCC1CCCN(Cc2cnc(-c3ccccc3)s2)C1)C1NNC2CCCCC21.
What is the InChIKey of N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is FOVFNMVGLMWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5OS/c30-23(22-20-10-4-5-11-21(20)27-28-22)25-13-17-7-6-12-29(15-17)16-19-14-26-24(31-19)18-8-2-1-3-9-18/h1-3,8-9,14,17,20-22,27-28H,4-7,10-13,15-16H2,(H,25,30).
What are the key properties of N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 439.63 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 74415456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).