4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde

C19H29N5O3 — CID 142331247

IUPAC4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)(Cn2cnc(N3CCC4(CCNC4)CC3)cc2=O)CC1
InChIInChI=1S/C19H29N5O3/c25-15-22-7-4-19(27,5-8-22)13-24-14-21-16(11-17(24)26)23-9-2-18(3-10-23)1-6-20-12-18/h11,14-15,20,27H,1-10,12-13H2
InChIKeyPYEZCGDIPRZBIT-UHFFFAOYSA-N
MW375.47 g/mol
LogP-0.19
Rot. Bonds4

About 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde

4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde (PubChem CID 142331247) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde
PubChem CID142331247
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)(Cn2cnc(N3CCC4(CCNC4)CC3)cc2=O)CC1
InChIInChI=1S/C19H29N5O3/c25-15-22-7-4-19(27,5-8-22)13-24-14-21-16(11-17(24)26)23-9-2-18(3-10-23)1-6-20-12-18/h11,14-15,20,27H,1-10,12-13H2
InChIKeyPYEZCGDIPRZBIT-UHFFFAOYSA-N
XLogP-0.19
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde?
The IUPAC name of 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde (CID 142331247) is 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde.
What is the SMILES notation for 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde?
The canonical SMILES for 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde is O=CN1CCC(O)(Cn2cnc(N3CCC4(CCNC4)CC3)cc2=O)CC1.
What is the InChIKey of 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde?
The InChIKey is PYEZCGDIPRZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c25-15-22-7-4-19(27,5-8-22)13-24-14-21-16(11-17(24)26)23-9-2-18(3-10-23)1-6-20-12-18/h11,14-15,20,27H,1-10,12-13H2.
What are the key properties of 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde?
4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde has a molecular weight of 375.47 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxypiperidine-1-carbaldehyde is sourced from PubChem (CID 142331247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).