3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide

C20H32N4O — CID 119848199

IUPAC3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
SMILESCC(CC(=O)NC1CCN(Cc2ccncc2)CC1)C1CCNCC1
InChIInChI=1S/C20H32N4O/c1-16(18-4-10-22-11-5-18)14-20(25)23-19-6-12-24(13-7-19)15-17-2-8-21-9-3-17/h2-3,8-9,16,18-19,22H,4-7,10-15H2,1H3,(H,23,25)
InChIKeyPZIYANBTDBQTEN-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.19
Rot. Bonds6

About 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide

3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide (PubChem CID 119848199) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
PubChem CID119848199
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
SMILESCC(CC(=O)NC1CCN(Cc2ccncc2)CC1)C1CCNCC1
InChIInChI=1S/C20H32N4O/c1-16(18-4-10-22-11-5-18)14-20(25)23-19-6-12-24(13-7-19)15-17-2-8-21-9-3-17/h2-3,8-9,16,18-19,22H,4-7,10-15H2,1H3,(H,23,25)
InChIKeyPZIYANBTDBQTEN-UHFFFAOYSA-N
XLogP2.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide (CID 119848199) is 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide is CC(CC(=O)NC1CCN(Cc2ccncc2)CC1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide?
The InChIKey is PZIYANBTDBQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(18-4-10-22-11-5-18)14-20(25)23-19-6-12-24(13-7-19)15-17-2-8-21-9-3-17/h2-3,8-9,16,18-19,22H,4-7,10-15H2,1H3,(H,23,25).
What are the key properties of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide?
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide has a molecular weight of 344.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 119848199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).