N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide

C20H26N4O2 — CID 55874101

IUPACN-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C20H26N4O2/c1-15-14-18(23(2)22-15)20(26)24-12-10-17(11-13-24)21-19(25)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,21,25)
InChIKeyCAPAFXFCOYRODR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.08
Rot. Bonds5

About N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55874101) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID55874101
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C20H26N4O2/c1-15-14-18(23(2)22-15)20(26)24-12-10-17(11-13-24)21-19(25)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,21,25)
InChIKeyCAPAFXFCOYRODR-UHFFFAOYSA-N
XLogP2.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692259
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
N-[1-[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55965592
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide (CID 55874101) is N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide is Cc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is CAPAFXFCOYRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-14-18(23(2)22-15)20(26)24-12-10-17(11-13-24)21-19(25)9-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55874101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).