(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one

C26H32N4O3 — CID 26349857

IUPAC(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H32N4O3/c1-20(33-21-7-3-2-4-8-21)24(31)29-13-10-26(11-14-29)19-22(26)25(32)30-17-15-28(16-18-30)23-9-5-6-12-27-23/h2-9,12,20,22H,10-11,13-19H2,1H3/t20-,22-/m0/s1
InChIKeyHOYIRDHSGPBIDN-UNMCSNQZSA-N
MW448.57 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one

(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one (PubChem CID 26349857) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
PubChem CID26349857
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H32N4O3/c1-20(33-21-7-3-2-4-8-21)24(31)29-13-10-26(11-14-29)19-22(26)25(32)30-17-15-28(16-18-30)23-9-5-6-12-27-23/h2-9,12,20,22H,10-11,13-19H2,1H3/t20-,22-/m0/s1
InChIKeyHOYIRDHSGPBIDN-UNMCSNQZSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
CID 45193412
(E)-4-methyl-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]pent-2-en-1-one
CID 45176071
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
3-phenyl-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one
CID 42430237
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
3-(4-methylphenyl)-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
CID 45176521
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 171389391
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
The IUPAC name of (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one (CID 26349857) is (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one.
What is the SMILES notation for (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
The canonical SMILES for (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one is C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
The InChIKey is HOYIRDHSGPBIDN-UNMCSNQZSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-20(33-21-7-3-2-4-8-21)24(31)29-13-10-26(11-14-29)19-22(26)25(32)30-17-15-28(16-18-30)23-9-5-6-12-27-23/h2-9,12,20,22H,10-11,13-19H2,1H3/t20-,22-/m0/s1.
What are the key properties of (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one?
(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one has a molecular weight of 448.57 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one is sourced from PubChem (CID 26349857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).