(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one

C20H29N3O — CID 98895604

IUPAC(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C1N(CC2CCC2)CC[C@@]12CCCN(Cc1ccncc1)CC2
InChIInChI=1S/C20H29N3O/c24-19-20(9-14-23(19)16-17-3-1-4-17)7-2-12-22(13-8-20)15-18-5-10-21-11-6-18/h5-6,10-11,17H,1-4,7-9,12-16H2/t20-/m0/s1
InChIKeyMRGNBDJYCHKBPJ-FQEVSTJZSA-N
MW327.47 g/mol
LogP3.09
Rot. Bonds4

About (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one

(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98895604) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98895604
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C1N(CC2CCC2)CC[C@@]12CCCN(Cc1ccncc1)CC2
InChIInChI=1S/C20H29N3O/c24-19-20(9-14-23(19)16-17-3-1-4-17)7-2-12-22(13-8-20)15-18-5-10-21-11-6-18/h5-6,10-11,17H,1-4,7-9,12-16H2/t20-/m0/s1
InChIKeyMRGNBDJYCHKBPJ-FQEVSTJZSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897114
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
9-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895455
9-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895454
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
9-[(2-methylpyrazol-3-yl)methyl]-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897092
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
2-(cyclobutylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449175
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98895604) is (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one is O=C1N(CC2CCC2)CC[C@@]12CCCN(Cc1ccncc1)CC2.
What is the InChIKey of (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is MRGNBDJYCHKBPJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O/c24-19-20(9-14-23(19)16-17-3-1-4-17)7-2-12-22(13-8-20)15-18-5-10-21-11-6-18/h5-6,10-11,17H,1-4,7-9,12-16H2/t20-/m0/s1.
What are the key properties of (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 327.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98895604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).