1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone

C19H26N4O4 — CID 109155101

IUPAC1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)OCCO4)cn2)CC1
InChIInChI=1S/C19H26N4O4/c1-15(24)21-8-10-22(11-9-21)17-3-2-16(14-20-17)18(25)23-6-4-19(5-7-23)26-12-13-27-19/h2-3,14H,4-13H2,1H3
InChIKeyFVSSACPPXOLFQX-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.73
Rot. Bonds2

About 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 109155101) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID109155101
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)OCCO4)cn2)CC1
InChIInChI=1S/C19H26N4O4/c1-15(24)21-8-10-22(11-9-21)17-3-2-16(14-20-17)18(25)23-6-4-19(5-7-23)26-12-13-27-19/h2-3,14H,4-13H2,1H3
InChIKeyFVSSACPPXOLFQX-UHFFFAOYSA-N
XLogP0.73
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155001
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 29256413
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 109187377
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109345888
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
[6-(4-tert-butylanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160057
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone
CID 109261574
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 109155101) is 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C(=O)N3CCC4(CC3)OCCO4)cn2)CC1.
What is the InChIKey of 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is FVSSACPPXOLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-15(24)21-8-10-22(11-9-21)17-3-2-16(14-20-17)18(25)23-6-4-19(5-7-23)26-12-13-27-19/h2-3,14H,4-13H2,1H3.
What are the key properties of 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 374.44 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109155101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).