[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone

C24H31N5O3 — CID 131679974

IUPAC[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCn1cnc(C(=O)N2CCC3(CC2)CC(COCC2CC2)N(C(=O)c2ccccc2)C3)n1
InChIInChI=1S/C24H31N5O3/c1-27-17-25-21(26-27)23(31)28-11-9-24(10-12-28)13-20(15-32-14-18-7-8-18)29(16-24)22(30)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3
InChIKeyYBEIAVCSRZMNMQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.38
Rot. Bonds6

About [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone

[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (PubChem CID 131679974) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
PubChem CID131679974
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCn1cnc(C(=O)N2CCC3(CC2)CC(COCC2CC2)N(C(=O)c2ccccc2)C3)n1
InChIInChI=1S/C24H31N5O3/c1-27-17-25-21(26-27)23(31)28-11-9-24(10-12-28)13-20(15-32-14-18-7-8-18)29(16-24)22(30)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3
InChIKeyYBEIAVCSRZMNMQ-UHFFFAOYSA-N
XLogP2.38
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
[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-3-pyridinyl)methanone
CID 131639800
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
[(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-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171692418
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
CID 131658496
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 131657640
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131681723
1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97475871

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (CID 131679974) is [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is Cn1cnc(C(=O)N2CCC3(CC2)CC(COCC2CC2)N(C(=O)c2ccccc2)C3)n1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The InChIKey is YBEIAVCSRZMNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-27-17-25-21(26-27)23(31)28-11-9-24(10-12-28)13-20(15-32-14-18-7-8-18)29(16-24)22(30)19-5-3-2-4-6-19/h2-6,17-18,20H,7-16H2,1H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
[3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone has a molecular weight of 437.54 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-8-(1-methyl-1,2,4-triazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is sourced from PubChem (CID 131679974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).