(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane

C21H33N3O2 — CID 126425953

IUPAC(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ccnc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c1OC
InChIInChI=1S/C21H33N3O2/c1-25-19-7-10-22-18(20(19)26-2)14-24-12-9-21(16-24)8-4-11-23(15-21)13-17-5-3-6-17/h7,10,17H,3-6,8-9,11-16H2,1-2H3/t21-/m0/s1
InChIKeyRWZZYSMFRQKJQX-NRFANRHFSA-N
MW359.51 g/mol
LogP3.19
Rot. Bonds6

About (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane

(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 126425953) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID126425953
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ccnc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c1OC
InChIInChI=1S/C21H33N3O2/c1-25-19-7-10-22-18(20(19)26-2)14-24-12-9-21(16-24)8-4-11-23(15-21)13-17-5-3-6-17/h7,10,17H,3-6,8-9,11-16H2,1-2H3/t21-/m0/s1
InChIKeyRWZZYSMFRQKJQX-NRFANRHFSA-N
XLogP3.19
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45221415
[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97141120
9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 70711017
(5S)-9-[(2,3-dimethoxyphenyl)methyl]-2-[(1-ethylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 42511244
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine
CID 138033013
9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane (CID 126425953) is (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane is COc1ccnc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c1OC.
What is the InChIKey of (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is RWZZYSMFRQKJQX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-25-19-7-10-22-18(20(19)26-2)14-24-12-9-21(16-24)8-4-11-23(15-21)13-17-5-3-6-17/h7,10,17H,3-6,8-9,11-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane?
(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 359.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 126425953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).