[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

C21H30N4O — CID 25289927

IUPAC[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)n(C)n1
InChIInChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3/t19-/m1/s1
InChIKeyNOLJMTRGZRIKHX-LJQANCHMSA-N
MW354.50 g/mol
LogP3.71
Rot. Bonds5

About [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone

[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (PubChem CID 25289927) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
PubChem CID25289927
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)n(C)n1
InChIInChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3/t19-/m1/s1
InChIKeyNOLJMTRGZRIKHX-LJQANCHMSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70767661
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 42199059
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 45211059
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42199633
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 42199493
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819255
ethyl 4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42098911

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The IUPAC name of [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone (CID 25289927) is [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is CCCc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)n(C)n1.
What is the InChIKey of [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
The InChIKey is NOLJMTRGZRIKHX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3/t19-/m1/s1.
What are the key properties of [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone?
[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone has a molecular weight of 354.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 25289927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).