(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H34N4O — CID 97138743

IUPAC(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCC(C)N1CCC(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)CC1
InChIInChI=1S/C18H34N4O/c1-15(2)21-10-5-16(6-11-21)22-13-12-20(3)18(14-22)7-4-17(23)19-9-8-18/h15-16H,4-14H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyOFTQJEVTFQGWHL-SFHVURJKSA-N
MW322.50 g/mol
LogP1.15
Rot. Bonds2

About (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97138743) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97138743
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCC(C)N1CCC(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)CC1
InChIInChI=1S/C18H34N4O/c1-15(2)21-10-5-16(6-11-21)22-13-12-20(3)18(14-22)7-4-17(23)19-9-8-18/h15-16H,4-14H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyOFTQJEVTFQGWHL-SFHVURJKSA-N
XLogP1.15
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97138743) is (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CC(C)N1CCC(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)CC1.
What is the InChIKey of (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is OFTQJEVTFQGWHL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15(2)21-10-5-16(6-11-21)22-13-12-20(3)18(14-22)7-4-17(23)19-9-8-18/h15-16H,4-14H2,1-3H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 322.50 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97138743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).