(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide

C18H30N4O2 — CID 95906195

IUPAC(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
SMILESCc1n[nH]c(C)c1C[C@H](C)C(=O)NCCC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C18H30N4O2/c1-12(11-16-14(3)20-21-15(16)4)18(24)19-9-8-17(23)22-10-6-5-7-13(22)2/h12-13H,5-11H2,1-4H3,(H,19,24)(H,20,21)/t12-,13-/m0/s1
InChIKeyHTXXYENBNZXIEY-STQMWFEESA-N
MW334.46 g/mol
LogP2.11
Rot. Bonds6

About (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide

(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide (PubChem CID 95906195) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
PubChem CID95906195
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
SMILESCc1n[nH]c(C)c1C[C@H](C)C(=O)NCCC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C18H30N4O2/c1-12(11-16-14(3)20-21-15(16)4)18(24)19-9-8-17(23)22-10-6-5-7-13(22)2/h12-13H,5-11H2,1-4H3,(H,19,24)(H,20,21)/t12-,13-/m0/s1
InChIKeyHTXXYENBNZXIEY-STQMWFEESA-N
XLogP2.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
CID 95271447
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide
CID 100873532
(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95295293
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-propanoylpiperidin-1-yl]propan-1-one
CID 99822754
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 97465255
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124952381
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111001860
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 95906756
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpropanoylamino)ethyl]azepane-1-carboxamide
CID 98574717
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide (CID 95906195) is (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide is Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCCC(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is HTXXYENBNZXIEY-STQMWFEESA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(11-16-14(3)20-21-15(16)4)18(24)19-9-8-17(23)22-10-6-5-7-13(22)2/h12-13H,5-11H2,1-4H3,(H,19,24)(H,20,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 95906195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).