[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C15H22N4O — CID 109341009

IUPAC[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCN(c2cc(C(=O)N3CCCC3)ncn2)CC1
InChIInChI=1S/C15H22N4O/c1-12-4-8-18(9-5-12)14-10-13(16-11-17-14)15(20)19-6-2-3-7-19/h10-12H,2-9H2,1H3
InChIKeySVJRJRJCLAMXKC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.95
Rot. Bonds2

About [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109341009) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109341009
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCN(c2cc(C(=O)N3CCCC3)ncn2)CC1
InChIInChI=1S/C15H22N4O/c1-12-4-8-18(9-5-12)14-10-13(16-11-17-14)15(20)19-6-2-3-7-19/h10-12H,2-9H2,1H3
InChIKeySVJRJRJCLAMXKC-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 109353067

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109341009) is [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC1CCN(c2cc(C(=O)N3CCCC3)ncn2)CC1.
What is the InChIKey of [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SVJRJRJCLAMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-4-8-18(9-5-12)14-10-13(16-11-17-14)15(20)19-6-2-3-7-19/h10-12H,2-9H2,1H3.
What are the key properties of [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109341009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).