N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide

C16H24N4O2 — CID 95280605

IUPACN-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
SMILESCNC(=O)C1(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)CCC1
InChIInChI=1S/C16H24N4O2/c1-12-9-18-20(10-12)13-5-3-8-19(11-13)15(22)16(6-4-7-16)14(21)17-2/h9-10,13H,3-8,11H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyFZKYSVKEPTXJJP-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.27
Rot. Bonds3

About N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide

N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide (PubChem CID 95280605) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
PubChem CID95280605
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
SMILESCNC(=O)C1(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)CCC1
InChIInChI=1S/C16H24N4O2/c1-12-9-18-20(10-12)13-5-3-8-19(11-13)15(22)16(6-4-7-16)14(21)17-2/h9-10,13H,3-8,11H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyFZKYSVKEPTXJJP-ZDUSSCGKSA-N
XLogP1.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
1-[(4R)-4-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95281814
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95281794
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119881486
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95289665
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583
N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 122137381

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide?
The IUPAC name of N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide (CID 95280605) is N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide is CNC(=O)C1(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)CCC1.
What is the InChIKey of N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide?
The InChIKey is FZKYSVKEPTXJJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-18-20(10-12)13-5-3-8-19(11-13)15(22)16(6-4-7-16)14(21)17-2/h9-10,13H,3-8,11H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide?
N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 95280605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).