1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone

C17H25N3O — CID 155504559

IUPAC1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H25N3O/c21-17(12-14-2-1-7-19-13-14)20-10-5-16(6-11-20)15-3-8-18-9-4-15/h1-2,7,13,15-16,18H,3-6,8-12H2
InChIKeyPCAPFYVYFZDZSY-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone

1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 155504559) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID155504559
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C17H25N3O/c21-17(12-14-2-1-7-19-13-14)20-10-5-16(6-11-20)15-3-8-18-9-4-15/h1-2,7,13,15-16,18H,3-6,8-12H2
InChIKeyPCAPFYVYFZDZSY-UHFFFAOYSA-N
XLogP1.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
4-benzyl-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56877479
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
CID 116564776
1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328159
1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328161
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone (CID 155504559) is 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is PCAPFYVYFZDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(12-14-2-1-7-19-13-14)20-10-5-16(6-11-20)15-3-8-18-9-4-15/h1-2,7,13,15-16,18H,3-6,8-12H2.
What are the key properties of 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 155504559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).