(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine

C17H30N4O2 — CID 129346024

IUPAC(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCCn1c(C)nnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC
InChIInChI=1S/C17H30N4O2/c1-4-8-21-13(2)18-19-17(21)11-20-9-10-23-12-15(20)14-6-5-7-16(14)22-3/h14-16H,4-12H2,1-3H3/t14-,15+,16-/m0/s1
InChIKeyFIGQEESPPXKLBQ-XHSDSOJGSA-N
MW322.45 g/mol
LogP2.01
Rot. Bonds6

About (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine

(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 129346024) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID129346024
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCCCn1c(C)nnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC
InChIInChI=1S/C17H30N4O2/c1-4-8-21-13(2)18-19-17(21)11-20-9-10-23-12-15(20)14-6-5-7-16(14)22-3/h14-16H,4-12H2,1-3H3/t14-,15+,16-/m0/s1
InChIKeyFIGQEESPPXKLBQ-XHSDSOJGSA-N
XLogP2.01
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine with MolForge

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Related Compounds

(3S)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-[(1R,2R)-2-methoxycyclopentyl]morpholine
CID 129346102
(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
(3R)-3-[(1S,2R)-2-methoxycyclopentyl]-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346205
(3S)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-[(1R,2S)-2-methoxycyclopentyl]morpholine
CID 129344798
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
4-[[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129482744
5-[[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 129351441
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
CID 167762268
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 (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 129346024) is (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine is CCCn1c(C)nnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC.
What is the InChIKey of (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is FIGQEESPPXKLBQ-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-8-21-13(2)18-19-17(21)11-20-9-10-23-12-15(20)14-6-5-7-16(14)22-3/h14-16H,4-12H2,1-3H3/t14-,15+,16-/m0/s1.
What are the key properties of (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine?
(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 322.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 129346024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).