(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H21N5O — CID 110855027

IUPAC(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H21N5O/c1-17-6-3-12(11-17)13(20)18-7-9-19(10-8-18)14-15-4-2-5-16-14/h2,4-5,12H,3,6-11H2,1H3
InChIKeyLVPBJQLMRSVXLF-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.08
Rot. Bonds2

About (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110855027) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110855027
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H21N5O/c1-17-6-3-12(11-17)13(20)18-7-9-19(10-8-18)14-15-4-2-5-16-14/h2,4-5,12H,3,6-11H2,1H3
InChIKeyLVPBJQLMRSVXLF-UHFFFAOYSA-N
XLogP0.08
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344246
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029
[4-(2-fluorobenzoyl)piperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 142266464
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 154820407

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110855027) is (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CN1CCC(C(=O)N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LVPBJQLMRSVXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-6-3-12(11-17)13(20)18-7-9-19(10-8-18)14-15-4-2-5-16-14/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110855027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).