2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine

C22H30N6 — CID 133300278

IUPAC2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESc1ccc(N2CCN(CC3CCCN(c4ccnc(C5CC5)n4)C3)CC2)nc1
InChIInChI=1S/C22H30N6/c1-2-9-23-20(5-1)27-14-12-26(13-15-27)16-18-4-3-11-28(17-18)21-8-10-24-22(25-21)19-6-7-19/h1-2,5,8-10,18-19H,3-4,6-7,11-17H2
InChIKeyWAOOIWSLUGDELE-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.79
Rot. Bonds5

About 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine

2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 133300278) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
PubChem CID133300278
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESc1ccc(N2CCN(CC3CCCN(c4ccnc(C5CC5)n4)C3)CC2)nc1
InChIInChI=1S/C22H30N6/c1-2-9-23-20(5-1)27-14-12-26(13-15-27)16-18-4-3-11-28(17-18)21-8-10-24-22(25-21)19-6-7-19/h1-2,5,8-10,18-19H,3-4,6-7,11-17H2
InChIKeyWAOOIWSLUGDELE-UHFFFAOYSA-N
XLogP2.79
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine with MolForge

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Related Compounds

2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279638
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
CID 142637683
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
CID 133279610
2-cyclopropyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893499
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine (CID 133300278) is 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine is c1ccc(N2CCN(CC3CCCN(c4ccnc(C5CC5)n4)C3)CC2)nc1.
What is the InChIKey of 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is WAOOIWSLUGDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-2-9-23-20(5-1)27-14-12-26(13-15-27)16-18-4-3-11-28(17-18)21-8-10-24-22(25-21)19-6-7-19/h1-2,5,8-10,18-19H,3-4,6-7,11-17H2.
What are the key properties of 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 378.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133300278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).