[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C21H26N4O — CID 109297729

IUPAC[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCC(Cc3ccccc3)CC2)n1)N1CCCC1
InChIInChI=1S/C21H26N4O/c26-20(24-12-4-5-13-24)19-8-11-22-21(23-19)25-14-9-18(10-15-25)16-17-6-2-1-3-7-17/h1-3,6-8,11,18H,4-5,9-10,12-16H2
InChIKeyCLJULTUHHLQMHS-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.17
Rot. Bonds4

About [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109297729) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109297729
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCC(Cc3ccccc3)CC2)n1)N1CCCC1
InChIInChI=1S/C21H26N4O/c26-20(24-12-4-5-13-24)19-8-11-22-21(23-19)25-14-9-18(10-15-25)16-17-6-2-1-3-7-17/h1-3,6-8,11,18H,4-5,9-10,12-16H2
InChIKeyCLJULTUHHLQMHS-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109297729) is [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(N2CCC(Cc3ccccc3)CC2)n1)N1CCCC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CLJULTUHHLQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(24-12-4-5-13-24)19-8-11-22-21(23-19)25-14-9-18(10-15-25)16-17-6-2-1-3-7-17/h1-3,6-8,11,18H,4-5,9-10,12-16H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 350.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109297729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).