[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone

C20H29N3O2 — CID 134072768

IUPAC[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(COCCN(CC4CC4)C3)C2)cn1
InChIInChI=1S/C20H29N3O2/c1-16-3-6-18(11-21-16)19(24)23-8-2-7-20(14-23)13-22(9-10-25-15-20)12-17-4-5-17/h3,6,11,17H,2,4-5,7-10,12-15H2,1H3
InChIKeyXMQDAJJMKMWGNV-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.35
Rot. Bonds3

About [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone

[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 134072768) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID134072768
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(COCCN(CC4CC4)C3)C2)cn1
InChIInChI=1S/C20H29N3O2/c1-16-3-6-18(11-21-16)19(24)23-8-2-7-20(14-23)13-22(9-10-25-15-20)12-17-4-5-17/h3,6,11,17H,2,4-5,7-10,12-15H2,1H3
InChIKeyXMQDAJJMKMWGNV-UHFFFAOYSA-N
XLogP2.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
CID 97397894
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 97494457
3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[2-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131639584
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450065
(6-methyl-3-pyridinyl)-[(2S,5S)-2-(1,2,4-triazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]methanone
CID 97452200
[(2R,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 97385823
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870

Frequently Asked Questions

What is the IUPAC name of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone (CID 134072768) is [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCCC3(COCCN(CC4CC4)C3)C2)cn1.
What is the InChIKey of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is XMQDAJJMKMWGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-3-6-18(11-21-16)19(24)23-8-2-7-20(14-23)13-22(9-10-25-15-20)12-17-4-5-17/h3,6,11,17H,2,4-5,7-10,12-15H2,1H3.
What are the key properties of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone?
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 134072768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).