4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one

C22H37N5O2 — CID 121118072

IUPAC4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)CC1
InChIInChI=1S/C22H37N5O2/c1-16-8-12-26(13-9-16)21(28)17(2)25-14-10-18(11-15-25)20-23-24(3)22(29)27(20)19-6-4-5-7-19/h16-19H,4-15H2,1-3H3
InChIKeyYEAUUGWJMJBGBI-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.52
Rot. Bonds4

About 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one

4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 121118072) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID121118072
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC Name4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)CC1
InChIInChI=1S/C22H37N5O2/c1-16-8-12-26(13-9-16)21(28)17(2)25-14-10-18(11-15-25)20-23-24(3)22(29)27(20)19-6-4-5-7-19/h16-19H,4-15H2,1-3H3
InChIKeyYEAUUGWJMJBGBI-UHFFFAOYSA-N
XLogP2.52
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopentyl-5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121114929
ethyl 4-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutanoate
CID 121114843
N-[2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 121115033
1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 82042068
4-cyclopentyl-2-methyl-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114896
4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115010
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 121115073
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
4-cyclopropyl-5-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540662
4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114820
4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one
CID 121117135
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 121118072) is 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one is CC1CCN(C(=O)C(C)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)CC1.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is YEAUUGWJMJBGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-16-8-12-26(13-9-16)21(28)17(2)25-14-10-18(11-15-25)20-23-24(3)22(29)27(20)19-6-4-5-7-19/h16-19H,4-15H2,1-3H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 403.57 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121118072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).