(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one

C16H25N5O2 — CID 124620457

IUPAC(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1
InChIInChI=1S/C16H25N5O2/c1-11-9-21(7-6-17-11)16(23)13-4-5-14(22)20(3)15(13)12-8-18-19(2)10-12/h8,10-11,13,15,17H,4-7,9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKeyYPQUCTKXBZNCQY-ZLDLUXBVSA-N
MW319.41 g/mol
LogP0.15
Rot. Bonds2

About (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one

(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 124620457) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID124620457
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1
InChIInChI=1S/C16H25N5O2/c1-11-9-21(7-6-17-11)16(23)13-4-5-14(22)20(3)15(13)12-8-18-19(2)10-12/h8,10-11,13,15,17H,4-7,9H2,1-3H3/t11-,13+,15+/m1/s1
InChIKeyYPQUCTKXBZNCQY-ZLDLUXBVSA-N
XLogP0.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one with MolForge

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Related Compounds

(5R,6R)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124840117
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136526026
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one;dihydrochloride
CID 120747661
4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
CID 119172685
(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125134220
(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 124684488
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119578510
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 120891003
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
N-(1-aminohexan-2-yl)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide;dihydrochloride
CID 119668820

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one (CID 124620457) is (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one is C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1.
What is the InChIKey of (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is YPQUCTKXBZNCQY-ZLDLUXBVSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-9-21(7-6-17-11)16(23)13-4-5-14(22)20(3)15(13)12-8-18-19(2)10-12/h8,10-11,13,15,17H,4-7,9H2,1-3H3/t11-,13+,15+/m1/s1.
What are the key properties of (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one?
(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 124620457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).