4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H30N4O3 — CID 72901046

IUPAC4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1ccnc(CN2CCN(C)C3(CCC(=O)N(C)CC3)C2)c1OC
InChIInChI=1S/C19H30N4O3/c1-21-10-8-19(7-5-17(21)24)14-23(12-11-22(19)2)13-15-18(26-4)16(25-3)6-9-20-15/h6,9H,5,7-8,10-14H2,1-4H3
InChIKeyKBMIQNPHRZSAGU-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.23
Rot. Bonds4

About 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72901046) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72901046
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1ccnc(CN2CCN(C)C3(CCC(=O)N(C)CC3)C2)c1OC
InChIInChI=1S/C19H30N4O3/c1-21-10-8-19(7-5-17(21)24)14-23(12-11-22(19)2)13-15-18(26-4)16(25-3)6-9-20-15/h6,9H,5,7-8,10-14H2,1-4H3
InChIKeyKBMIQNPHRZSAGU-UHFFFAOYSA-N
XLogP1.23
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72901046) is 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is COc1ccnc(CN2CCN(C)C3(CCC(=O)N(C)CC3)C2)c1OC.
What is the InChIKey of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KBMIQNPHRZSAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21-10-8-19(7-5-17(21)24)14-23(12-11-22(19)2)13-15-18(26-4)16(25-3)6-9-20-15/h6,9H,5,7-8,10-14H2,1-4H3.
What are the key properties of 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 362.47 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72901046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).