(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone

C21H27N3O — CID 109179716

IUPAC(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H27N3O/c1-16(2)23-19-8-9-20(22-15-19)21(25)24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15-16,18,23H,10-14H2,1-2H3
InChIKeyBDYCVGBOGDEAHJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.00
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 109179716) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID109179716
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H27N3O/c1-16(2)23-19-8-9-20(22-15-19)21(25)24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15-16,18,23H,10-14H2,1-2H3
InChIKeyBDYCVGBOGDEAHJ-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459
(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
CID 19390855
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
CID 109288460
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone (CID 109179716) is (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone is CC(C)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is BDYCVGBOGDEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(2)23-19-8-9-20(22-15-19)21(25)24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15-16,18,23H,10-14H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 337.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109179716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).