(6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H30N4O3 — CID 97201249

IUPAC(6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1ccnc(CN2CCN(C)[C@]3(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/t19-/m0/s1
InChIKeyKBMIQNPHRZSAGU-IBGZPJMESA-N
MW362.47 g/mol
LogP1.23
Rot. Bonds4

About (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97201249) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97201249
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1ccnc(CN2CCN(C)[C@]3(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/t19-/m0/s1
InChIKeyKBMIQNPHRZSAGU-IBGZPJMESA-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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Related Compounds

4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72901046
(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97125922
(6S)-4-(furan-3-ylmethyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204877
(6R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97154134
(6S)-1,10-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132062
4-[(4-tert-butylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759678
1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70715822
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805101
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
4-[(1-ethylindol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70712472
1,10-dimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845317

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97201249) is (6S)-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 (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is COc1ccnc(CN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)c1OC.
What is the InChIKey of (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KBMIQNPHRZSAGU-IBGZPJMESA-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/t19-/m0/s1.
What are the key properties of (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-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 (6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97201249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).