(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C26H34N4O2 — CID 164640193

IUPAC(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccc4)CC2)CCO3)cn1
InChIInChI=1S/C26H34N4O2/c1-21-7-8-22(20-27-21)25(31)30-12-10-26(11-13-30)19-24(9-18-32-26)29-16-14-28(15-17-29)23-5-3-2-4-6-23/h2-8,20,24H,9-19H2,1H3/t24-/m0/s1
InChIKeyJFPNZWUIPVQCSI-DEOSSOPVSA-N
MW434.58 g/mol
LogP3.37
Rot. Bonds3

About (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 164640193) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID164640193
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccc4)CC2)CCO3)cn1
InChIInChI=1S/C26H34N4O2/c1-21-7-8-22(20-27-21)25(31)30-12-10-26(11-13-30)19-24(9-18-32-26)29-16-14-28(15-17-29)23-5-3-2-4-6-23/h2-8,20,24H,9-19H2,1H3/t24-/m0/s1
InChIKeyJFPNZWUIPVQCSI-DEOSSOPVSA-N
XLogP3.37
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 164640193) is (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccc4)CC2)CCO3)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is JFPNZWUIPVQCSI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-21-7-8-22(20-27-21)25(31)30-12-10-26(11-13-30)19-24(9-18-32-26)29-16-14-28(15-17-29)23-5-3-2-4-6-23/h2-8,20,24H,9-19H2,1H3/t24-/m0/s1.
What are the key properties of (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 434.58 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 164640193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).