[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone

C20H30N4O2 — CID 131659597

IUPAC[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3(CCC(COCC4CC4)N3C)CC2)cn1
InChIInChI=1S/C20H30N4O2/c1-15-11-22-18(12-21-15)19(25)24-9-7-20(8-10-24)6-5-17(23(20)2)14-26-13-16-3-4-16/h11-12,16-17H,3-10,13-14H2,1-2H3
InChIKeyKDHXIZUTMRPADK-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.28
Rot. Bonds5

About [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone

[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 131659597) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID131659597
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3(CCC(COCC4CC4)N3C)CC2)cn1
InChIInChI=1S/C20H30N4O2/c1-15-11-22-18(12-21-15)19(25)24-9-7-20(8-10-24)6-5-17(23(20)2)14-26-13-16-3-4-16/h11-12,16-17H,3-10,13-14H2,1-2H3
InChIKeyKDHXIZUTMRPADK-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 97476796
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one
CID 97476692
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938
cyclopenten-1-yl-[(2R)-2-(ethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476477

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone (CID 131659597) is [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC3(CCC(COCC4CC4)N3C)CC2)cn1.
What is the InChIKey of [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is KDHXIZUTMRPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15-11-22-18(12-21-15)19(25)24-9-7-20(8-10-24)6-5-17(23(20)2)14-26-13-16-3-4-16/h11-12,16-17H,3-10,13-14H2,1-2H3.
What are the key properties of [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone?
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 358.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 131659597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).