N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide

C26H29ClN4O2 — CID 46455345

IUPACN-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H29ClN4O2/c1-19-24(25(27)31(29-19)18-21-10-6-3-7-11-21)26(33)30-16-14-22(15-17-30)28-23(32)13-12-20-8-4-2-5-9-20/h2-11,22H,12-18H2,1H3,(H,28,32)
InChIKeyVHPJLBNLGLEEAE-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.25
Rot. Bonds7

About N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46455345) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID46455345
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H29ClN4O2/c1-19-24(25(27)31(29-19)18-21-10-6-3-7-11-21)26(33)30-16-14-22(15-17-30)28-23(32)13-12-20-8-4-2-5-9-20/h2-11,22H,12-18H2,1H3,(H,28,32)
InChIKeyVHPJLBNLGLEEAE-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 30768138
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692259
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide (CID 46455345) is N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is VHPJLBNLGLEEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-19-24(25(27)31(29-19)18-21-10-6-3-7-11-21)26(33)30-16-14-22(15-17-30)28-23(32)13-12-20-8-4-2-5-9-20/h2-11,22H,12-18H2,1H3,(H,28,32).
What are the key properties of N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 465.00 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46455345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).