1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C19H28N4O2 — CID 97495779

IUPAC1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(Cc2cccnc2)C(=O)C12CCN([C@@H]1CCOC1)CC2
InChIInChI=1S/C19H28N4O2/c1-21-10-11-23(14-16-3-2-7-20-13-16)18(24)19(21)5-8-22(9-6-19)17-4-12-25-15-17/h2-3,7,13,17H,4-6,8-12,14-15H2,1H3/t17-/m1/s1
InChIKeyIOHBUCPDHJUXGN-QGZVFWFLSA-N
MW344.46 g/mol
LogP0.98
Rot. Bonds3

About 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495779) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495779
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(Cc2cccnc2)C(=O)C12CCN([C@@H]1CCOC1)CC2
InChIInChI=1S/C19H28N4O2/c1-21-10-11-23(14-16-3-2-7-20-13-16)18(24)19(21)5-8-22(9-6-19)17-4-12-25-15-17/h2-3,7,13,17H,4-6,8-12,14-15H2,1H3/t17-/m1/s1
InChIKeyIOHBUCPDHJUXGN-QGZVFWFLSA-N
XLogP0.98
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-9-[[(3R)-oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495778
1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079354
(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 124521399
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
1-[9-[(3S)-oxolan-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-3-ylethanone
CID 97450931
1-benzyl-8-cyclopentyl-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143131
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 98820820
1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164853
(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 98778255
1-ethyl-3-(3-pyridin-3-ylpropyl)-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136624

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495779) is 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(Cc2cccnc2)C(=O)C12CCN([C@@H]1CCOC1)CC2.
What is the InChIKey of 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is IOHBUCPDHJUXGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-10-11-23(14-16-3-2-7-20-13-16)18(24)19(21)5-8-22(9-6-19)17-4-12-25-15-17/h2-3,7,13,17H,4-6,8-12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 344.46 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).