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

C20H38N4O2 — CID 97147509

IUPAC(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC(N2CCN(C)[C@]3(CCC(=O)N(CCOC)CC3)C2)CC1
InChIInChI=1S/C20H38N4O2/c1-4-22-10-6-18(7-11-22)24-14-13-21(2)20(17-24)8-5-19(25)23(12-9-20)15-16-26-3/h18H,4-17H2,1-3H3/t20-/m0/s1
InChIKeyBXGIJZXVXXJVEK-FQEVSTJZSA-N
MW366.55 g/mol
LogP1.12
Rot. Bonds5

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

(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97147509) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97147509
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC(N2CCN(C)[C@]3(CCC(=O)N(CCOC)CC3)C2)CC1
InChIInChI=1S/C20H38N4O2/c1-4-22-10-6-18(7-11-22)24-14-13-21(2)20(17-24)8-5-19(25)23(12-9-20)15-16-26-3/h18H,4-17H2,1-3H3/t20-/m0/s1
InChIKeyBXGIJZXVXXJVEK-FQEVSTJZSA-N
XLogP1.12
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789011
10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72934530
(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153786
4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70731372
ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate
CID 97210276
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
10-(2-methoxyethyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72852906
10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70742987
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
4-(5-ethyl-2-methylpyrimidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70716153
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97142214
(6R)-10-(2-methoxyethyl)-1-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98841921

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97147509) is (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CCC(N2CCN(C)[C@]3(CCC(=O)N(CCOC)CC3)C2)CC1.
What is the InChIKey of (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is BXGIJZXVXXJVEK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-4-22-10-6-18(7-11-22)24-14-13-21(2)20(17-24)8-5-19(25)23(12-9-20)15-16-26-3/h18H,4-17H2,1-3H3/t20-/m0/s1.
What are the key properties of (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 366.55 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97147509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).