2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide

C18H22N4O — CID 122131807

IUPAC2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2ccncc2)cc1N1CCCCC1
InChIInChI=1S/C18H22N4O/c19-18(23)16-5-4-15(21-13-14-6-8-20-9-7-14)12-17(16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2,(H2,19,23)
InChIKeyFNIMTIULLHPVAR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.78
Rot. Bonds5

About 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide

2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide (PubChem CID 122131807) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide
PubChem CID122131807
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCc2ccncc2)cc1N1CCCCC1
InChIInChI=1S/C18H22N4O/c19-18(23)16-5-4-15(21-13-14-6-8-20-9-7-14)12-17(16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2,(H2,19,23)
InChIKeyFNIMTIULLHPVAR-UHFFFAOYSA-N
XLogP2.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119325043
4-[[2-(cyclopropylmethylamino)acetyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786105
4-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]pyridine-2-carboxamide
CID 119043684
4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786091
2-chloro-4-(pyridin-4-ylmethylamino)benzoic acid
CID 17058958
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 119325036
4-(pyridin-4-ylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62710278
2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119786123
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide (CID 122131807) is 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide is NC(=O)c1ccc(NCc2ccncc2)cc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is FNIMTIULLHPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-18(23)16-5-4-15(21-13-14-6-8-20-9-7-14)12-17(16)22-10-2-1-3-11-22/h4-9,12,21H,1-3,10-11,13H2,(H2,19,23).
What are the key properties of 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide?
2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 122131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).