1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide

C22H30FN5O2 — CID 139005900

IUPAC1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2cccc(F)c2)N2CCOCC2)nnn1CC1CCCC1
InChIInChI=1S/C22H30FN5O2/c1-16-21(25-26-28(16)15-17-5-2-3-6-17)22(29)24-14-20(27-9-11-30-12-10-27)18-7-4-8-19(23)13-18/h4,7-8,13,17,20H,2-3,5-6,9-12,14-15H2,1H3,(H,24,29)
InChIKeyMYDVZFXLJOKHML-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.72
Rot. Bonds7

About 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide

1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide (PubChem CID 139005900) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide
PubChem CID139005900
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2cccc(F)c2)N2CCOCC2)nnn1CC1CCCC1
InChIInChI=1S/C22H30FN5O2/c1-16-21(25-26-28(16)15-17-5-2-3-6-17)22(29)24-14-20(27-9-11-30-12-10-27)18-7-4-8-19(23)13-18/h4,7-8,13,17,20H,2-3,5-6,9-12,14-15H2,1H3,(H,24,29)
InChIKeyMYDVZFXLJOKHML-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1H-indazole-3-carboxamide
CID 60593064
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
1-cyclopentyl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 110990466
1-cyclohexyl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 110957533
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552
1-(cyclopropylmethyl)-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111869687
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081658
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide (CID 139005900) is 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NCC(c2cccc(F)c2)N2CCOCC2)nnn1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is MYDVZFXLJOKHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-16-21(25-26-28(16)15-17-5-2-3-6-17)22(29)24-14-20(27-9-11-30-12-10-27)18-7-4-8-19(23)13-18/h4,7-8,13,17,20H,2-3,5-6,9-12,14-15H2,1H3,(H,24,29).
What are the key properties of 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide?
1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 139005900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).