[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone

C19H30N4O2 — CID 133142265

IUPAC[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)CC1COCC1CC1
InChIInChI=1S/C19H30N4O2/c1-21-14-19(11-16(21)13-25-12-15-3-4-15)6-9-23(10-7-19)18(24)17-5-8-22(2)20-17/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3
InChIKeyYBLJOWIPAVFIAN-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.77
Rot. Bonds5

About [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone

[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 133142265) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID133142265
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)CC1COCC1CC1
InChIInChI=1S/C19H30N4O2/c1-21-14-19(11-16(21)13-25-12-15-3-4-15)6-9-23(10-7-19)18(24)17-5-8-22(2)20-17/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3
InChIKeyYBLJOWIPAVFIAN-UHFFFAOYSA-N
XLogP1.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 131657640
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 97486240
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 131652864
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171692418
[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 131679974
8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
3-(cyclopropylmethoxymethyl)-2-methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131642473
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone (CID 133142265) is [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone is CN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)CC1COCC1CC1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is YBLJOWIPAVFIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-14-19(11-16(21)13-25-12-15-3-4-15)6-9-23(10-7-19)18(24)17-5-8-22(2)20-17/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone?
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 133142265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).