[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C22H29N5O — CID 42532864

IUPAC[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cn1
InChIInChI=1S/C22H29N5O/c1-17-6-3-4-8-21(17)26-12-10-25(11-13-26)19-7-5-9-27(16-19)22(28)20-15-23-18(2)14-24-20/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3/t19-/m1/s1
InChIKeyPANXZAMGMKEXKC-LJQANCHMSA-N
MW379.51 g/mol
LogP2.52
Rot. Bonds3

About [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 42532864) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID42532864
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cn1
InChIInChI=1S/C22H29N5O/c1-17-6-3-4-8-21(17)26-12-10-25(11-13-26)19-7-5-9-27(16-19)22(28)20-15-23-18(2)14-24-20/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3/t19-/m1/s1
InChIKeyPANXZAMGMKEXKC-LJQANCHMSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45221624
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
cyclopenten-1-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 26394595
4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 95717493
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 42522862
3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56702441
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201
[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 45195744
[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42291710
(3-bromophenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986000
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24817356
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 42532864) is [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cn1.
What is the InChIKey of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is PANXZAMGMKEXKC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-6-3-4-8-21(17)26-12-10-25(11-13-26)19-7-5-9-27(16-19)22(28)20-15-23-18(2)14-24-20/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 42532864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).