N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide

C22H29N3O — CID 113030634

IUPACN-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O/c1-17(2)14-22(26)24-21-9-8-20(16-23-21)25-12-10-19(11-13-25)15-18-6-4-3-5-7-18/h3-9,16-17,19H,10-15H2,1-2H3,(H,23,24,26)
InChIKeyGOBPWPSUIZWXKK-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.53
Rot. Bonds6

About N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide

N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide (PubChem CID 113030634) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
PubChem CID113030634
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N3O/c1-17(2)14-22(26)24-21-9-8-20(16-23-21)25-12-10-19(11-13-25)15-18-6-4-3-5-7-18/h3-9,16-17,19H,10-15H2,1-2H3,(H,23,24,26)
InChIKeyGOBPWPSUIZWXKK-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]pentanamide
CID 113030633
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
CID 60516460
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide
CID 121256369
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide (CID 113030634) is N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is GOBPWPSUIZWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)14-22(26)24-21-9-8-20(16-23-21)25-12-10-19(11-13-25)15-18-6-4-3-5-7-18/h3-9,16-17,19H,10-15H2,1-2H3,(H,23,24,26).
What are the key properties of N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide?
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 351.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113030634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).