(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C20H29N3O2 — CID 131686523

IUPAC(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CC(O)C1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-18-12-17(13-18)19(25)23-10-5-20(6-11-23)3-8-22(9-4-20)15-16-2-1-7-21-14-16/h1-2,7,14,17-18,24H,3-6,8-13,15H2
InChIKeyRHZLEHDKQHNYQB-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.06
Rot. Bonds3

About (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 131686523) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID131686523
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CC(O)C1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-18-12-17(13-18)19(25)23-10-5-20(6-11-23)3-8-22(9-4-20)15-16-2-1-7-21-14-16/h1-2,7,14,17-18,24H,3-6,8-13,15H2
InChIKeyRHZLEHDKQHNYQB-UHFFFAOYSA-N
XLogP2.06
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686812
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96572910
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
(2-methylimidazo[1,2-a]pyridin-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131691846
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
(4-methylpiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 126468803
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 131686523) is (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(C1CC(O)C1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is RHZLEHDKQHNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-18-12-17(13-18)19(25)23-10-5-20(6-11-23)3-8-22(9-4-20)15-16-2-1-7-21-14-16/h1-2,7,14,17-18,24H,3-6,8-13,15H2.
What are the key properties of (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 131686523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).