(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone

C18H20N2O — CID 669081

IUPAC(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20N2O/c21-18(17-7-4-10-19-14-17)20-11-8-16(9-12-20)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChIKeyKHLYRLGWQPCXQI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone

(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 669081) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
PubChem CID669081
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20N2O/c21-18(17-7-4-10-19-14-17)20-11-8-16(9-12-20)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
InChIKeyKHLYRLGWQPCXQI-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124793902
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone (CID 669081) is (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is KHLYRLGWQPCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(17-7-4-10-19-14-17)20-11-8-16(9-12-20)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2.
What are the key properties of (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone?
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 669081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).