N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide

C17H24N6O2 — CID 128988847

IUPACN-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)cn1
InChIInChI=1S/C17H24N6O2/c1-4-7-23-10-12(8-19-23)17(25)20-13-5-6-15(24)22(3)16(13)14-9-18-11-21(14)2/h8-11,13,16H,4-7H2,1-3H3,(H,20,25)/t13-,16-/m1/s1
InChIKeyYSFZYHLEJHHESV-CZUORRHYSA-N
MW344.42 g/mol
LogP1.12
Rot. Bonds5

About N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide

N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 128988847) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide
PubChem CID128988847
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)cn1
InChIInChI=1S/C17H24N6O2/c1-4-7-23-10-12(8-19-23)17(25)20-13-5-6-15(24)22(3)16(13)14-9-18-11-21(14)2/h8-11,13,16H,4-7H2,1-3H3,(H,20,25)/t13-,16-/m1/s1
InChIKeyYSFZYHLEJHHESV-CZUORRHYSA-N
XLogP1.12
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide
CID 128983960
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 167918170
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide
CID 154736245
2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide
CID 122360024
(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one
CID 167900159
1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 97244438
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide
CID 167934289
4-methyl-3-(3-methylimidazol-4-yl)-5-oxomorpholine-2-carboxylic acid
CID 66117906
2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
CID 116750961
1-methyl-7-oxo-2-(3-propylimidazol-4-yl)azepane-3-carboxylic acid
CID 66131567
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-1-propylpyrazole-4-carboxamide
CID 99704493

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide (CID 128988847) is N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)cn1.
What is the InChIKey of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is YSFZYHLEJHHESV-CZUORRHYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-7-23-10-12(8-19-23)17(25)20-13-5-6-15(24)22(3)16(13)14-9-18-11-21(14)2/h8-11,13,16H,4-7H2,1-3H3,(H,20,25)/t13-,16-/m1/s1.
What are the key properties of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide?
N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 128988847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).