(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone

C18H21N3O2 — CID 97143492

IUPAC(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(c3cnccn3)C2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-13-10-15(23-2)5-6-16(13)18(22)14-4-3-9-21(12-14)17-11-19-7-8-20-17/h5-8,10-11,14H,3-4,9,12H2,1-2H3/t14-/m0/s1
InChIKeyAQCKLIDSQIGAPL-AWEZNQCLSA-N
MW311.39 g/mol
LogP2.89
Rot. Bonds4

About (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone

(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone (PubChem CID 97143492) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
PubChem CID97143492
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(c3cnccn3)C2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-13-10-15(23-2)5-6-16(13)18(22)14-4-3-9-21(12-14)17-11-19-7-8-20-17/h5-8,10-11,14H,3-4,9,12H2,1-2H3/t14-/m0/s1
InChIKeyAQCKLIDSQIGAPL-AWEZNQCLSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 56873653
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51934504
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
methyl 5-[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-5-oxopentanoate
CID 42245196
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone (CID 97143492) is (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone is COc1ccc(C(=O)[C@H]2CCCN(c3cnccn3)C2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The InChIKey is AQCKLIDSQIGAPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-10-15(23-2)5-6-16(13)18(22)14-4-3-9-21(12-14)17-11-19-7-8-20-17/h5-8,10-11,14H,3-4,9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 97143492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).