(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone

C22H27N3O2 — CID 109228617

IUPAC(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(N2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-22(20-15-21(17-23-16-20)24-10-12-27-13-11-24)25-8-6-19(7-9-25)14-18-4-2-1-3-5-18/h1-5,15-17,19H,6-14H2
InChIKeyWJIYLFWEVRETQN-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.01
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone

(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 109228617) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID109228617
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(N2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-22(20-15-21(17-23-16-20)24-10-12-27-13-11-24)25-8-6-19(7-9-25)14-18-4-2-1-3-5-18/h1-5,15-17,19H,6-14H2
InChIKeyWJIYLFWEVRETQN-UHFFFAOYSA-N
XLogP3.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365399
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-3-pyridinyl]methanone
CID 109224224
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
CID 109229333
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231990

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone (CID 109228617) is (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone is O=C(c1cncc(N2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is WJIYLFWEVRETQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(20-15-21(17-23-16-20)24-10-12-27-13-11-24)25-8-6-19(7-9-25)14-18-4-2-1-3-5-18/h1-5,15-17,19H,6-14H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone?
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 109228617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).