1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

C20H31N3O2 — CID 124941194

IUPAC1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(Cc3ncccc3C)CC2)C[C@@H](O)C1(C)C
InChIInChI=1S/C20H31N3O2/c1-15-6-5-9-21-17(15)13-22-10-7-20(8-11-22)12-18(25)19(3,4)23(14-20)16(2)24/h5-6,9,18,25H,7-8,10-14H2,1-4H3/t18-/m1/s1
InChIKeyALHUISXAKCBRQP-GOSISDBHSA-N
MW345.49 g/mol
LogP2.36
Rot. Bonds2

About 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (PubChem CID 124941194) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
PubChem CID124941194
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(Cc3ncccc3C)CC2)C[C@@H](O)C1(C)C
InChIInChI=1S/C20H31N3O2/c1-15-6-5-9-21-17(15)13-22-10-7-20(8-11-22)12-18(25)19(3,4)23(14-20)16(2)24/h5-6,9,18,25H,7-8,10-14H2,1-4H3/t18-/m1/s1
InChIKeyALHUISXAKCBRQP-GOSISDBHSA-N
XLogP2.36
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125011492
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazol-5-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124975835
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
3,3-dimethyl-8-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 155990513
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125009214
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
N-[6-[(3-methyl-2-pyridinyl)methyl]-6-azaspiro[3.4]octan-2-yl]-1,3-thiazole-4-carboxamide
CID 98897312
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897720
1-[4-hydroxy-3,3-dimethyl-9-(3-methyl-1,2-oxazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 110156043

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The IUPAC name of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (CID 124941194) is 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is CC(=O)N1CC2(CCN(Cc3ncccc3C)CC2)C[C@@H](O)C1(C)C.
What is the InChIKey of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The InChIKey is ALHUISXAKCBRQP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-6-5-9-21-17(15)13-22-10-7-20(8-11-22)12-18(25)19(3,4)23(14-20)16(2)24/h5-6,9,18,25H,7-8,10-14H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is sourced from PubChem (CID 124941194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).