(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone

C20H25N5O — CID 71841618

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cncnc2)nc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H25N5O/c26-20(16-4-5-19(23-14-16)17-12-21-15-22-13-17)25-10-6-18(7-11-25)24-8-2-1-3-9-24/h4-5,12-15,18H,1-3,6-11H2
InChIKeyMPHKWVBLZHWSGE-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.63
Rot. Bonds3

About (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone

(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 71841618) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID71841618
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cncnc2)nc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H25N5O/c26-20(16-4-5-19(23-14-16)17-12-21-15-22-13-17)25-10-6-18(7-11-25)24-8-2-1-3-9-24/h4-5,12-15,18H,1-3,6-11H2
InChIKeyMPHKWVBLZHWSGE-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 56917083
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110090712
[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56863885
(3-methyl-5-pyrimidin-5-yl-2H-pyrrol-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 143749392

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 71841618) is (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone is O=C(c1ccc(-c2cncnc2)nc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is MPHKWVBLZHWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(16-4-5-19(23-14-16)17-12-21-15-22-13-17)25-10-6-18(7-11-25)24-8-2-1-3-9-24/h4-5,12-15,18H,1-3,6-11H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 71841618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).