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

C16H28N4O2 — CID 129346205

IUPAC(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncnn1C(C)C
InChIInChI=1S/C16H28N4O2/c1-12(2)20-16(17-11-18-20)9-19-7-8-22-10-14(19)13-5-4-6-15(13)21-3/h11-15H,4-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyNQWVGJYTWLAOHV-SOUVJXGZSA-N
MW308.43 g/mol
LogP1.87
Rot. Bonds5

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

(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 129346205) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID129346205
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncnn1C(C)C
InChIInChI=1S/C16H28N4O2/c1-12(2)20-16(17-11-18-20)9-19-7-8-22-10-14(19)13-5-4-6-15(13)21-3/h11-15H,4-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyNQWVGJYTWLAOHV-SOUVJXGZSA-N
XLogP1.87
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129346212
(3R)-4-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129345896
(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
2-fluoro-4-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129351578
(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
CID 129344798
2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
3-fluoro-4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483966
2-fluoro-5-[[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483754

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine (CID 129346205) is (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine is CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncnn1C(C)C.
What is the InChIKey of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is NQWVGJYTWLAOHV-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)20-16(17-11-18-20)9-19-7-8-22-10-14(19)13-5-4-6-15(13)21-3/h11-15H,4-10H2,1-3H3/t13-,14-,15+/m0/s1.
What are the key properties of (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine?
(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 308.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 129346205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).