ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate

C20H36N4O3 — CID 97210276

IUPACethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(C)[C@]3(CCC(=O)N(CC)CC3)C2)CC1
InChIInChI=1S/C20H36N4O3/c1-4-22-13-10-20(9-6-18(22)25)16-24(15-14-21(20)3)17-7-11-23(12-8-17)19(26)27-5-2/h17H,4-16H2,1-3H3/t20-/m0/s1
InChIKeyRMVXNFBVIAMIKD-FQEVSTJZSA-N
MW380.53 g/mol
LogP1.63
Rot. Bonds3

About ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate

ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate (PubChem CID 97210276) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate
PubChem CID97210276
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Nameethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(C)[C@]3(CCC(=O)N(CC)CC3)C2)CC1
InChIInChI=1S/C20H36N4O3/c1-4-22-13-10-20(9-6-18(22)25)16-24(15-14-21(20)3)17-7-11-23(12-8-17)19(26)27-5-2/h17H,4-16H2,1-3H3/t20-/m0/s1
InChIKeyRMVXNFBVIAMIKD-FQEVSTJZSA-N
XLogP1.63
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate (CID 97210276) is ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(C)[C@]3(CCC(=O)N(CC)CC3)C2)CC1.
What is the InChIKey of ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate?
The InChIKey is RMVXNFBVIAMIKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-4-22-13-10-20(9-6-18(22)25)16-24(15-14-21(20)3)17-7-11-23(12-8-17)19(26)27-5-2/h17H,4-16H2,1-3H3/t20-/m0/s1.
What are the key properties of ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate?
ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate has a molecular weight of 380.53 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 97210276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).