5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide

C21H26N4O — CID 159073575

IUPAC5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H26N4O/c22-21(23)19-8-6-18(15-24-19)7-9-20(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-6,8,15,17H,7,9-14H2,(H3,22,23)
InChIKeyJZYTVECFSOWGDP-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.78
Rot. Bonds6

About 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide

5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide (PubChem CID 159073575) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide
PubChem CID159073575
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H26N4O/c22-21(23)19-8-6-18(15-24-19)7-9-20(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-6,8,15,17H,7,9-14H2,(H3,22,23)
InChIKeyJZYTVECFSOWGDP-UHFFFAOYSA-N
XLogP2.78
TPSA83.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenecarboximidamide
CID 158136961
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
4-[3-(4-carbamimidoylphenyl)propanoyl]piperazine-1-carboxylic acid
CID 22010102
4-[[1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70736736
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026457
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490177
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide?
The IUPAC name of 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide (CID 159073575) is 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide?
The InChIKey is JZYTVECFSOWGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c22-21(23)19-8-6-18(15-24-19)7-9-20(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-6,8,15,17H,7,9-14H2,(H3,22,23).
What are the key properties of 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide?
5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide has a molecular weight of 350.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide is sourced from PubChem (CID 159073575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).