N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide

C26H29ClN4O2 — CID 46455348

IUPACN-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nn(-c2ccc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)cc2)c(C)c1Cl
InChIInChI=1S/C26H29ClN4O2/c1-18-25(27)19(2)31(29-18)23-11-9-21(10-12-23)26(33)30-16-14-22(15-17-30)28-24(32)13-8-20-6-4-3-5-7-20/h3-7,9-12,22H,8,13-17H2,1-2H3,(H,28,32)
InChIKeyGAKLLPPCTOKWAY-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.50
Rot. Bonds6

About N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46455348) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID46455348
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nn(-c2ccc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)cc2)c(C)c1Cl
InChIInChI=1S/C26H29ClN4O2/c1-18-25(27)19(2)31(29-18)23-11-9-21(10-12-23)26(33)30-16-14-22(15-17-30)28-24(32)13-8-20-6-4-3-5-7-20/h3-7,9-12,22H,8,13-17H2,1-2H3,(H,28,32)
InChIKeyGAKLLPPCTOKWAY-UHFFFAOYSA-N
XLogP4.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692259
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide (CID 46455348) is N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide is Cc1nn(-c2ccc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)cc2)c(C)c1Cl.
What is the InChIKey of N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is GAKLLPPCTOKWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-18-25(27)19(2)31(29-18)23-11-9-21(10-12-23)26(33)30-16-14-22(15-17-30)28-24(32)13-8-20-6-4-3-5-7-20/h3-7,9-12,22H,8,13-17H2,1-2H3,(H,28,32).
What are the key properties of N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 465.00 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46455348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).