(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone

C23H28N4O2 — CID 134796273

IUPAC(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)C1
InChIInChI=1S/C23H28N4O2/c1-17-3-2-10-27(15-17)23(29)20-8-11-26(12-9-20)22(28)19-6-4-18(5-7-19)21-13-24-16-25-14-21/h4-7,13-14,16-17,20H,2-3,8-12,15H2,1H3
InChIKeyPDMHWYVGZDFUQJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.25
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone (PubChem CID 134796273) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
PubChem CID134796273
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)C1
InChIInChI=1S/C23H28N4O2/c1-17-3-2-10-27(15-17)23(29)20-8-11-26(12-9-20)22(28)19-6-4-18(5-7-19)21-13-24-16-25-14-21/h4-7,13-14,16-17,20H,2-3,8-12,15H2,1H3
InChIKeyPDMHWYVGZDFUQJ-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone
CID 86985291
N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
CID 134800129
[1-[3-fluoro-4-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 126784138
N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
CID 134803759
[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662274
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55841866
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone (CID 134796273) is (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone is CC1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is PDMHWYVGZDFUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-3-2-10-27(15-17)23(29)20-8-11-26(12-9-20)22(28)19-6-4-18(5-7-19)21-13-24-16-25-14-21/h4-7,13-14,16-17,20H,2-3,8-12,15H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 134796273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).