[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

C22H34N4O3 — CID 29256413

IUPAC[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CCN1C(C)C
InChIInChI=1S/C22H34N4O3/c1-4-19-16-25(11-12-26(19)17(2)3)21(27)18-5-6-20(23-15-18)24-9-7-22(8-10-24)28-13-14-29-22/h5-6,15,17,19H,4,7-14,16H2,1-3H3/t19-/m0/s1
InChIKeyMVIBFCPVSVVOMF-IBGZPJMESA-N
MW402.54 g/mol
LogP2.37
Rot. Bonds4

About [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 29256413) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID29256413
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CCN1C(C)C
InChIInChI=1S/C22H34N4O3/c1-4-19-16-25(11-12-26(19)17(2)3)21(27)18-5-6-20(23-15-18)24-9-7-22(8-10-24)28-13-14-29-22/h5-6,15,17,19H,4,7-14,16H2,1-3H3/t19-/m0/s1
InChIKeyMVIBFCPVSVVOMF-IBGZPJMESA-N
XLogP2.37
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
1-[4-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 109155101
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-[6-(2-methylprop-2-enylamino)-3-pyridinyl]methanone
CID 45191322
4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155001
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
[2-(3-ethyl-4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 72852619
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035

Frequently Asked Questions

What is the IUPAC name of [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [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) is [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is CC[C@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CCN1C(C)C.
What is the InChIKey of [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is MVIBFCPVSVVOMF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N4O3/c1-4-19-16-25(11-12-26(19)17(2)3)21(27)18-5-6-20(23-15-18)24-9-7-22(8-10-24)28-13-14-29-22/h5-6,15,17,19H,4,7-14,16H2,1-3H3/t19-/m0/s1.
What are the key properties of [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 402.54 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 29256413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).