(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione

C18H33N5O2 — CID 11450995

IUPAC(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione
SMILESO=C1NCCCNCCCNC(=O)[C@@H]2CCCN2CCN2CCC[C@@H]12
InChIInChI=1S/C18H33N5O2/c24-17-15-5-1-11-22(15)13-14-23-12-2-6-16(23)18(25)21-10-4-8-19-7-3-9-20-17/h15-16,19H,1-14H2,(H,20,24)(H,21,25)/t15-,16-/m0/s1
InChIKeySUNFWHVZRCHUJE-HOTGVXAUSA-N
MW351.50 g/mol
LogP-0.47
Rot. Bonds

About (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione

(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione (PubChem CID 11450995) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione.

Molecular Properties

Compound Name(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione
PubChem CID11450995
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione
SMILESO=C1NCCCNCCCNC(=O)[C@@H]2CCCN2CCN2CCC[C@@H]12
InChIInChI=1S/C18H33N5O2/c24-17-15-5-1-11-22(15)13-14-23-12-2-6-16(23)18(25)21-10-4-8-19-7-3-9-20-17/h15-16,19H,1-14H2,(H,20,24)(H,21,25)/t15-,16-/m0/s1
InChIKeySUNFWHVZRCHUJE-HOTGVXAUSA-N
XLogP-0.47
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione with MolForge

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Related Compounds

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CID 90761480
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CID 129349004
(3R)-3-[(3S)-3-hydroxypiperidin-1-yl]piperidin-2-one
CID 129349003
3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
CID 102850218
3-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]azepan-2-one
CID 63343636
3-[4-(2-chlorophenyl)piperazin-1-yl]azepan-2-one
CID 17426374
3-methyl-1,5,9-triazacyclododecane-2,4-dione
CID 66730143
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]azepan-2-one
CID 66261873
3-[3-(methylamino)pyrrolidin-1-yl]azepan-2-one
CID 115300701
3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]azepan-2-one
CID 42930236
3-(3-methyl-4-oxopiperidin-1-yl)azepan-2-one
CID 114500316
3-[4-[(tert-butylamino)methyl]piperidin-1-yl]azepan-2-one
CID 63848597

Frequently Asked Questions

What is the IUPAC name of (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione?
The IUPAC name of (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione (CID 11450995) is (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione.
What is the SMILES notation for (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione?
The canonical SMILES for (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione is O=C1NCCCNCCCNC(=O)[C@@H]2CCCN2CCN2CCC[C@@H]12.
What is the InChIKey of (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione?
The InChIKey is SUNFWHVZRCHUJE-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H33N5O2/c24-17-15-5-1-11-22(15)13-14-23-12-2-6-16(23)18(25)21-10-4-8-19-7-3-9-20-17/h15-16,19H,1-14H2,(H,20,24)(H,21,25)/t15-,16-/m0/s1.
What are the key properties of (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione?
(8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione has a molecular weight of 351.50 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,20S)-1,4,10,14,18-pentazatricyclo[18.3.0.04,8]tricosane-9,19-dione is sourced from PubChem (CID 11450995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).