N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide

C16H27N5O2 — CID 118793838

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide
SMILESCC(NC(=O)CCN1CCOCC1)c1nncn1C1CCCC1
InChIInChI=1S/C16H27N5O2/c1-13(16-19-17-12-21(16)14-4-2-3-5-14)18-15(22)6-7-20-8-10-23-11-9-20/h12-14H,2-11H2,1H3,(H,18,22)
InChIKeyRIDXYVJFGIBEIN-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.29
Rot. Bonds6

About N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide (PubChem CID 118793838) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide
PubChem CID118793838
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide
SMILESCC(NC(=O)CCN1CCOCC1)c1nncn1C1CCCC1
InChIInChI=1S/C16H27N5O2/c1-13(16-19-17-12-21(16)14-4-2-3-5-14)18-15(22)6-7-20-8-10-23-11-9-20/h12-14H,2-11H2,1H3,(H,18,22)
InChIKeyRIDXYVJFGIBEIN-UHFFFAOYSA-N
XLogP1.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-2-morpholinecarboxamide
CID 56882213
N-cyclopentyl-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 72141730
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72936434
(3R*,5S*)-N-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72839784
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72857355
(3R*,5R*)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72897240
3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95773986
2-methyl-2-morpholin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 128171468
3-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide formate
CID 131935851
4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
CID 132971174
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 164637518

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide (CID 118793838) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide is CC(NC(=O)CCN1CCOCC1)c1nncn1C1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is RIDXYVJFGIBEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(16-19-17-12-21(16)14-4-2-3-5-14)18-15(22)6-7-20-8-10-23-11-9-20/h12-14H,2-11H2,1H3,(H,18,22).
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 321.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 118793838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).