[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C22H28N4O — CID 56716428

IUPAC[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccc(C2(CN3CCCC3)CCN(C(=O)c3ccncc3)CC2)nc1
InChIInChI=1S/C22H28N4O/c1-18-4-5-20(24-16-18)22(17-25-12-2-3-13-25)8-14-26(15-9-22)21(27)19-6-10-23-11-7-19/h4-7,10-11,16H,2-3,8-9,12-15,17H2,1H3
InChIKeyAHVCBQWANYNYLN-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.05
Rot. Bonds4

About [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 56716428) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID56716428
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1ccc(C2(CN3CCCC3)CCN(C(=O)c3ccncc3)CC2)nc1
InChIInChI=1S/C22H28N4O/c1-18-4-5-20(24-16-18)22(17-25-12-2-3-13-25)8-14-26(15-9-22)21(27)19-6-10-23-11-7-19/h4-7,10-11,16H,2-3,8-9,12-15,17H2,1H3
InChIKeyAHVCBQWANYNYLN-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

(5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95208559
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606
methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate
CID 50955381
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 121498872
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95711804
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 56741927
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 56716428) is [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone is Cc1ccc(C2(CN3CCCC3)CCN(C(=O)c3ccncc3)CC2)nc1.
What is the InChIKey of [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is AHVCBQWANYNYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-4-5-20(24-16-18)22(17-25-12-2-3-13-25)8-14-26(15-9-22)21(27)19-6-10-23-11-7-19/h4-7,10-11,16H,2-3,8-9,12-15,17H2,1H3.
What are the key properties of [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 56716428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).