2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C20H29N3O2 — CID 131661990

IUPAC2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)N(CC2CC2)CC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C20H29N3O2/c1-25-14-18-19(24)23(13-16-2-3-16)15-20(18)6-10-22(11-7-20)12-17-4-8-21-9-5-17/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3
InChIKeyQKQPUQBIUABNCK-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.18
Rot. Bonds6

About 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131661990) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131661990
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCC1C(=O)N(CC2CC2)CC12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C20H29N3O2/c1-25-14-18-19(24)23(13-16-2-3-16)15-20(18)6-10-22(11-7-20)12-17-4-8-21-9-5-17/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3
InChIKeyQKQPUQBIUABNCK-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155831843
(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895604
(4S)-2-ethyl-4-(methoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97473987
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
2-(oxan-4-ylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897114
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 131661990) is 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is COCC1C(=O)N(CC2CC2)CC12CCN(Cc1ccncc1)CC2.
What is the InChIKey of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QKQPUQBIUABNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-25-14-18-19(24)23(13-16-2-3-16)15-20(18)6-10-22(11-7-20)12-17-4-8-21-9-5-17/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 343.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131661990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).