4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide

C16H27N5O2 — CID 132971174

IUPAC4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
SMILESCC(CNC(=O)C1COCCN1CC1CCC1)c1nncn1C
InChIInChI=1S/C16H27N5O2/c1-12(15-19-18-11-20(15)2)8-17-16(22)14-10-23-7-6-21(14)9-13-4-3-5-13/h11-14H,3-10H2,1-2H3,(H,17,22)
InChIKeyXZYLHAAWLFCSAG-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.54
Rot. Bonds6

About 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide

4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide (PubChem CID 132971174) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
PubChem CID132971174
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
SMILESCC(CNC(=O)C1COCCN1CC1CCC1)c1nncn1C
InChIInChI=1S/C16H27N5O2/c1-12(15-19-18-11-20(15)2)8-17-16(22)14-10-23-7-6-21(14)9-13-4-3-5-13/h11-14H,3-10H2,1-2H3,(H,17,22)
InChIKeyXZYLHAAWLFCSAG-UHFFFAOYSA-N
XLogP0.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.54
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-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697
N-(2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethyl)urea
CID 70712514
(3R*,5R*)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72897240
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
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
2-morpholin-4-yl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 164638752
[4-(2,2-Difluoroethyl)morpholin-3-yl]-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127906204
4-(2,2-difluoroethyl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-3-carboxamide
CID 128204644
N-isopropyl-2-{4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide
CID 70774115
4-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-cyclopentylpiperazin-2-one
CID 91784199

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide (CID 132971174) is 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide is CC(CNC(=O)C1COCCN1CC1CCC1)c1nncn1C.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide?
The InChIKey is XZYLHAAWLFCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(15-19-18-11-20(15)2)8-17-16(22)14-10-23-7-6-21(14)9-13-4-3-5-13/h11-14H,3-10H2,1-2H3,(H,17,22).
What are the key properties of 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide?
4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 132971174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).