(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone

C20H24N4O — CID 100752948

IUPAC(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c1-15-18(13-21-19(22-15)17-7-8-17)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3
InChIKeyIGASMKPODDMTBK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone

(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone (PubChem CID 100752948) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
PubChem CID100752948
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c1-15-18(13-21-19(22-15)17-7-8-17)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3
InChIKeyIGASMKPODDMTBK-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155
N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 92640356
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 110853051
(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 36677795
4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92636450
[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639352
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
1-[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92636040
[2-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92639531
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone (CID 100752948) is (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone is Cc1nc(C2CC2)ncc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
The InChIKey is IGASMKPODDMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-18(13-21-19(22-15)17-7-8-17)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 100752948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).