N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide

C28H39N5O3 — CID 146485327

IUPACN-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2nn(CCC3CCC(Oc4cnccc4C)CC3)c3c2CCC3)CC1
InChIInChI=1S/C28H39N5O3/c1-19-10-14-29-18-26(19)36-23-8-6-21(7-9-23)11-17-33-25-5-3-4-24(25)27(31-33)28(35)32-15-12-22(13-16-32)30-20(2)34/h10,14,18,21-23H,3-9,11-13,15-17H2,1-2H3,(H,30,34)
InChIKeyJEWZKABZLXOEJO-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.84
Rot. Bonds7

About N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide

N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide (PubChem CID 146485327) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide
PubChem CID146485327
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC NameN-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2nn(CCC3CCC(Oc4cnccc4C)CC3)c3c2CCC3)CC1
InChIInChI=1S/C28H39N5O3/c1-19-10-14-29-18-26(19)36-23-8-6-21(7-9-23)11-17-33-25-5-3-4-24(25)27(31-33)28(35)32-15-12-22(13-16-32)30-20(2)34/h10,14,18,21-23H,3-9,11-13,15-17H2,1-2H3,(H,30,34)
InChIKeyJEWZKABZLXOEJO-UHFFFAOYSA-N
XLogP3.84
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-[1-[(methylidene-λ4-sulfanylidene)-[1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 146553186
N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide
CID 146552688
N-[1-[4-bromo-1-[2-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]ethyl]pyrazole-3-carbonyl]piperidin-4-yl]acetamide
CID 146485258
2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 67480242
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenoxy)piperidin-1-yl]ethanone
CID 146405043
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119559896
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119559895
[1-[2-[1-(4-fluoro-2,3-dimethylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(3S)-3-fluoro-4-hydroxypiperidin-1-yl]methanone
CID 146552810
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
[1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone
CID 146485333
5-methyl-N-[1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 49358427
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide (CID 146485327) is N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2nn(CCC3CCC(Oc4cnccc4C)CC3)c3c2CCC3)CC1.
What is the InChIKey of N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is JEWZKABZLXOEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-19-10-14-29-18-26(19)36-23-8-6-21(7-9-23)11-17-33-25-5-3-4-24(25)27(31-33)28(35)32-15-12-22(13-16-32)30-20(2)34/h10,14,18,21-23H,3-9,11-13,15-17H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide?
N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 493.65 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 146485327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).