2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H27N3O3 — CID 156603375

IUPAC2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOCC1(O)CCN(c2nc3c(cc2C(N)=O)CCC3)CC1(C)C
InChIInChI=1S/C18H27N3O3/c1-17(2)10-21(8-7-18(17,23)11-24-3)16-13(15(19)22)9-12-5-4-6-14(12)20-16/h9,23H,4-8,10-11H2,1-3H3,(H2,19,22)
InChIKeyCQJBHNRRMCRQCV-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 156603375) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID156603375
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOCC1(O)CCN(c2nc3c(cc2C(N)=O)CCC3)CC1(C)C
InChIInChI=1S/C18H27N3O3/c1-17(2)10-21(8-7-18(17,23)11-24-3)16-13(15(19)22)9-12-5-4-6-14(12)20-16/h9,23H,4-8,10-11H2,1-3H3,(H2,19,22)
InChIKeyCQJBHNRRMCRQCV-UHFFFAOYSA-N
XLogP1.28
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95881220
2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885523
2-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885525
2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97114677
2-(1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70715684
2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70742647
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264402
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 39818675
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66212034
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
CID 156605238

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 156603375) is 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COCC1(O)CCN(c2nc3c(cc2C(N)=O)CCC3)CC1(C)C.
What is the InChIKey of 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is CQJBHNRRMCRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-17(2)10-21(8-7-18(17,23)11-24-3)16-13(15(19)22)9-12-5-4-6-14(12)20-16/h9,23H,4-8,10-11H2,1-3H3,(H2,19,22).
What are the key properties of 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 156603375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).