(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C26H30N4O2 — CID 95050500

IUPAC(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C26H30N4O2/c1-18(2)20-10-12-22(13-11-20)29-25(31)21-8-6-16-30(17-21)24-26(28-15-14-27-24)32-23-9-5-4-7-19(23)3/h4-5,7,9-15,18,21H,6,8,16-17H2,1-3H3,(H,29,31)/t21-/m0/s1
InChIKeyMQDDSCLHPAJWNM-NRFANRHFSA-N
MW430.55 g/mol
LogP5.56
Rot. Bonds6

About (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 95050500) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID95050500
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C26H30N4O2/c1-18(2)20-10-12-22(13-11-20)29-25(31)21-8-6-16-30(17-21)24-26(28-15-14-27-24)32-23-9-5-4-7-19(23)3/h4-5,7,9-15,18,21H,6,8,16-17H2,1-3H3,(H,29,31)/t21-/m0/s1
InChIKeyMQDDSCLHPAJWNM-NRFANRHFSA-N
XLogP5.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897343
ethyl 3-[[1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carbonyl]amino]benzoate
CID 46392484
(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
(3S)-N-[(4-ethylphenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050515
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050474
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50836140
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 95050500) is (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is MQDDSCLHPAJWNM-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18(2)20-10-12-22(13-11-20)29-25(31)21-8-6-16-30(17-21)24-26(28-15-14-27-24)32-23-9-5-4-7-19(23)3/h4-5,7,9-15,18,21H,6,8,16-17H2,1-3H3,(H,29,31)/t21-/m0/s1.
What are the key properties of (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95050500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).