(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine

C17H30N4O2 — CID 129345896

IUPAC(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncnn1C(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-17(2,3)21-16(18-12-19-21)10-20-8-9-23-11-14(20)13-6-5-7-15(13)22-4/h12-15H,5-11H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyMGSUSALAIWIIIC-SOUVJXGZSA-N
MW322.45 g/mol
LogP2.05
Rot. Bonds4

About (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine

(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine (PubChem CID 129345896) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine.

Molecular Properties

Compound Name(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
PubChem CID129345896
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncnn1C(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-17(2,3)21-16(18-12-19-21)10-20-8-9-23-11-14(20)13-6-5-7-15(13)22-4/h12-15H,5-11H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyMGSUSALAIWIIIC-SOUVJXGZSA-N
XLogP2.05
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129346212
(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346205
(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
CID 129346102
(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346024
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
CID 167762268
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
CID 129344798
(4aR,8aS)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 124725480
2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 129351441
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
The IUPAC name of (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine (CID 129345896) is (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine.
What is the SMILES notation for (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
The canonical SMILES for (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine is CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncnn1C(C)(C)C.
What is the InChIKey of (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
The InChIKey is MGSUSALAIWIIIC-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(2,3)21-16(18-12-19-21)10-20-8-9-23-11-14(20)13-6-5-7-15(13)22-4/h12-15H,5-11H2,1-4H3/t13-,14-,15+/m0/s1.
What are the key properties of (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine?
(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine has a molecular weight of 322.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine is sourced from PubChem (CID 129345896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).