cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone

C24H29N5O2 — CID 56537293

IUPACcyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)C2CC2)C1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H29N5O2/c30-23(19-8-9-19)29-12-4-7-20(17-29)24(31)28-15-13-27(14-16-28)21-10-11-25-22(26-21)18-5-2-1-3-6-18/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2
InChIKeyHETBGEURYGYJDI-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.44
Rot. Bonds4

About cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 56537293) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID56537293
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Namecyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCN(C(=O)C2CC2)C1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H29N5O2/c30-23(19-8-9-19)29-12-4-7-20(17-29)24(31)28-15-13-27(14-16-28)21-10-11-25-22(26-21)18-5-2-1-3-6-18/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2
InChIKeyHETBGEURYGYJDI-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(furan-3-carbonyl)piperidin-4-yl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537131
[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 56537224
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
[(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93058074
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
CID 56537176
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone (CID 56537293) is cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CCCN(C(=O)C2CC2)C1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is HETBGEURYGYJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-23(19-8-9-19)29-12-4-7-20(17-29)24(31)28-15-13-27(14-16-28)21-10-11-25-22(26-21)18-5-2-1-3-6-18/h1-3,5-6,10-11,19-20H,4,7-9,12-17H2.
What are the key properties of cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56537293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).